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144-74-1

Basic Information
CAS No.: 144-74-1
Name: Sulfathiazole sodium
Article Data: 1
Molecular Structure:
Molecular Structure of 144-74-1 (Sulfathiazole sodium)
Formula: C9H8N3NaO2S2
Molecular Weight: 277.303
Synonyms: Benzenesulfonamide,4-amino-N-2-thiazolyl-, monosodium salt (9CI);Sodium norsulfazole;Sodium sulfathiazolate;Norsulfazole soluble;Sodium sulfathiazole;Soluble norsulfazole;Solublesulfathiazole;Soluthiazomide;Sulfathiazole sodium salt;Sulphathiazole sodium;2-(p-Amino-N-sodiobenzenesulfonamide)thiazole;2-(p-Aminobenzenesulfonamido)thiazole sodium salt;2-Sulfanilamidothiazolesodium salt;Norsulfazol sodium;Sodium 2-sulfanilamidothiazole;Norsulfazole sodium;Norsulfazole sodium salt;
EINECS: 205-638-5
Melting Point: 175oC (form a); 202oC (form b)
Boiling Point: 479.5 °C at 760 mmHg
Flash Point: 243.8 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-24/25-23
PSA: 112.91000
LogP: 3.04690
Synthetic route

iron(III) chloride

144-74-1

sulfathiazole sodium

C27H24FeN9O6S6

Conditions
ConditionsYield
at 20℃;97%

copper (II)-fluoride

144-74-1

sulfathiazole sodium

72446-92-5

Cu2(sulfathiazolato)4

Conditions
ConditionsYield
In methanol pptn. on addn. of Cu-salt to warm soln. of 2 equiv. ligand (stirring); collection (filtration), drying; elem. anal.;90%

cobalt(II) chloride hexahydrate

144-74-1

sulfathiazole sodium

A

Co(II)(sulfathiazolate)2(H2O)4

B

Co(II)(sulfathiazolate)2(H2O)3

Conditions
ConditionsYield
In water aq. soln. of CoCl2 was added to 2.2 equiv. of S-compd. in H2O, stirring at room temp.; standing for 4 d, solid was centrifuged off, washed with H2O several times, dried (vac., away from light), elem. anal.; liq. was stood for 7-12 d, crystals were centrifuged off, washed with H2O several times, dried (vac., away from light), elem. anal.;A 88.6%
B 88%
144-74-1

sulfathiazole sodium

39757-35-2

methyl 4-(4-chlorophenyl)-2,4-dioxobutanoate

(2Z)-2-hydroxy-4-oxo-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}-4-(4-chlorophenyl)but-2-eneamide

Conditions
ConditionsYield
In acetic acid for 0.333333h; Reflux;78%

cadmium(II) perchlorate hydrate

144-74-1

sulfathiazole sodium

C18H24CdN6O8S4

Conditions
ConditionsYield
In methanol for 4h; Reflux;60%
34446-64-5, 42996-84-9

(E)-3-(4-methoxyphenyl)propenoyl chloride

144-74-1

sulfathiazole sodium

p-methoxycinnamoyl sulfathiazole

Conditions
ConditionsYield
With pyridine In tetrahydrofuran for 25.5h; Cooling with ice;55%
85-44-9

phthalic anhydride

144-74-1

sulfathiazole sodium

85-73-4

Cremothalidine

Conditions
ConditionsYield
at 85 - 150℃; Kinetics;
144-74-1

sulfathiazole sodium

594-42-3

chlorothio-trichloro-methane

103501-32-2

4-amino-N-thiazol-2-yl-N-trichloromethylsulfanyl-benzenesulfonamide

Conditions
ConditionsYield
In benzene Heating;
67-56-1

methanol

144-74-1

sulfathiazole sodium

50-81-7

ascorbic acid

compound C15H15N3O7S2

compound C15H15N3O7S2

144-74-1

sulfathiazole sodium

77-78-1

dimethyl sulfate

aqueous NaOH

aqueous NaOH

sulfanilic acid-<3-methyl-3H-thiazol-2-ylidenamide>

sulfanilic acid-<3-methyl-3H-thiazol-2-ylidenamide>

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Sulfathiazole sodium, with the CAS registry number 144-74-1, is also known as Benzenesulfonamide, 4-amino-N-2-thiazolyl-, sodium salt (1:1). It belongs to the classification code of Drug / Therapeutic Agent. Its EINECS registry number is 205-638-5. This chemical's molecular formula is C9H8N3NaO2S2 and molecular weight is 277.30. What's more, both its IUPAC name and systematic name are the same which is called Sodium (4-aminophenyl)sulfonyl-(1,3-thiazol-2-yl)azanide. It is a sulfonamide for the treatment of infection in susceptible strains.

Physical properties about Sulfathiazole sodium are: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): -0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.92; (8)ACD/KOC (pH 7.4): 12.59; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 98.92 Å2; (13)Flash Point: 243.8 °C; (14)Enthalpy of Vaporization: 74.38 kJ/mol; (15)Boiling Point: 479.5 °C at 760 mmHg; (16)Vapour Pressure: 2.35E-09 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. You can not breathe the gas/fumes/vapour/spray and you should avoid contacting with skin and eyes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].O=S(=O)([N-]c1nccs1)c2ccc(N)cc2
(2) InChI: InChI=1S/C9H8N3O2S2.Na/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9;/h1-6H,10H2;/q-1;+1
(3) InChIKey: GWIJGCIVKLITQK-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1320mg/kg (1320mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 81, Pg. 284, 1944.
mouse LD50 intravenous 708mg/kg (708mg/kg)   Journal of the Indiana State Medical Association. Vol. 33, Pg. 503, 1940.
mouse LD50 oral 3800mg/kg (3800mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 94, Pg. 338, 1953.
mouse LD50 parenteral 1950mg/kg (1950mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 43, Pg. 328, 1940.
mouse LD50 subcutaneous 1434mg/kg (1434mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 71, Pg. 138, 1941.
rat LDLo intraperitoneal 750mg/kg (750mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 45, Pg. 15, 1940.

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