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Imidazole-2-thiol
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Name

Imidazole-2-thiol

 EINECS N/A
CAS No. 872-35-5 Density 1.36g/cm3
PSA 67.48000 LogP 0.69840
Solubility N/A Melting Point 228-231 °C(lit.)
Formula C3H4 N2 S Boiling Point 152.4°C at 760 mmHg
Molecular Weight 100.144 Flash Point 46°C
Transport Information N/A Appearance N/A
Safety Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also MERCAPTANS. Risk Codes 36/37/38
Molecular Structure Molecular Structure of 872-35-5 (2-MERCAPTOIMIDAZOLE) Hazard Symbols
Synonyms

2-Imidazolemercaptan(3CI); 4-Imidazoline-2-thione (7CI); Imidazole-2-thiol (6CI,8CI);1,3-Dihydro-2H-imidazole-2-thione; 1,3-Dihydroimidazole-2-thione;1,3-Vinylenethiourea; 1H-Imidazole-2-thiol; 2-Mercapto-1H-imidazole;2-Mercaptoimidazole; 2-Thioimidazole; 2-Thioxo-2,3-dihydroimidazole; NSC 112715

Article Data 19

Imidazole-2-thiol Synthetic route

1147550-11-5

ammonium thiocyanate

141-46-8

Glycolaldehyde

872-35-5

1,3-dihydro-imidazole-2-thione

Conditions
ConditionsYield
With ammonium dihydrogen phosphate; ammonium chloride at 60℃; pH=4; Reagent/catalyst;7.8%
22483-09-6

2,2-dimethoxyethylamine

872-35-5

1,3-dihydro-imidazole-2-thione

Conditions
ConditionsYield
With hydrogenchloride

2,2'-dithiodi(imidazole) bis(perchloric acid) salt

A

288-32-4

1H-imidazole

B

872-35-5

1,3-dihydro-imidazole-2-thione

Conditions
ConditionsYield
With Carbonate buffer at 25℃; Kinetics;
872-35-5

1,3-dihydro-imidazole-2-thione

79-11-8

chloroacetic acid

14395-78-9

(1H-imidazol-2-ylsulfanyl)-acetic acid

Conditions
ConditionsYield
Stage #1: 1,3-dihydro-imidazole-2-thione With base catalyst In ethanol at 50℃; for 1h;
Stage #2: chloroacetic acid In ethanol at 80℃; for 2h;		100%
58-27-5

menadione

872-35-5

1,3-dihydro-imidazole-2-thione

1449761-93-6

2-(1H-imidazole-2-ylthio)-3-methylnaphthalene-1,4-dione

Conditions
ConditionsYield
In methanol at 20℃; for 8h;98%
99-40-1

2-chloro-3',4'-dihydroxyacetophenone

872-35-5

1,3-dihydro-imidazole-2-thione

1-(3,4-dihydroxy-phenyl)-2-(1H-imidazol-2-ylsulfanyl)-ethanone; hydrochloride

Conditions
ConditionsYield
In acetonitrile for 16h; Heating;95%

(S)-benzyl 2-(bromomethyl)pyrrolidine-1-carboxylate

872-35-5

1,3-dihydro-imidazole-2-thione

C16H19N3O2S

Conditions
ConditionsYield
With potassium carbonate In acetone Reflux; Inert atmosphere;95%
3209-22-1

1,2-Dichloro-3-nitrobenzene

872-35-5

1,3-dihydro-imidazole-2-thione

683276-68-8

2-(2-chloro-6-nitrophenylthio)imidazole

Conditions
ConditionsYield
With potassium carbonate In acetonitrile for 6.5h; Heating / reflux;94%
872-35-5

1,3-dihydro-imidazole-2-thione

2-(isobutylamino)benzyl chloride hydrochloride

128936-04-9

N-isobutyl-2-<(2-imidazolylthio)methyl>aniline

Conditions
ConditionsYield
In ethanol; chloroform; water94%
872-35-5

1,3-dihydro-imidazole-2-thione

111-36-4

n-butyl isocyanide

2-mercaptoimidazole-carboxylic acid butylamide

Conditions
ConditionsYield
at 50℃; for 0.5h;93%

Imidazole-2-thiol Chemical Properties

IUPAC: 1,3-Dihydroimidazole-2-thione
 Imidazole-2-thiol with CAS NO.of  872-35-5 is also called for 2-Mercaptoimidazole ; 2-Imidazolethiol ; 1H-Imidazole-2-thiol ; Mercaptoimidazole ; 1,3-Vinylenethiourea ; 1H-Imidazolethiol ; Imidazole, 2-mercapto- ; 4-Imidazoline-2-thione ; USAF EL-57 and so on.
CAS: 872-35-5
Molecular Formula: C3H4N2S
Molecular Weight: 100.14
EINECS: 212-823-4
ACD/LogP: 0.21
ACD/LogD (pH 5.5): 0.21 
ACD/LogD (pH 7.4): 0.21 
ACD/BCF (pH 5.5): 1 
ACD/BCF (pH 7.4): 1 
ACD/KOC (pH 5.5): 31.14 
ACD/KOC (pH 7.4): 31.14 
H bond acceptors: 2 
H bond donors: 2 
Freely Rotating Bonds: 0
Heavy Atom Count: 6
Formal Charge: 0
Complexity: 87
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 0
Undefined Atom StereoCenter Count: 0
Defined Bond StereoCenter Count: 0
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 1
Index of Refraction: 1.696 
Molar Refractivity: 28.21 cm3 
Molar Volume: 73.3 cm3 
Surface Tension: 68.9 dyne/cm 
Density: 1.36 g/cm3 
Flash Point: 46°C 
Enthalpy of Vaporization: 38.92 kJ/mol 
Boiling Point: 152.4°C at 760 mmHg 
Vapour Pressure: 3.5 mmHg at 25°C 
The molecular structure of  Imidazole-2-thiol with CAS NO.of  872-35-5:

Imidazole-2-thiol Toxicity Data With Reference

1.    

ipr-mus LD50:200 mg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 .

Imidazole-2-thiol Consensus Reports

Reported in EPA TSCA Inventory.

Imidazole-2-thiol Safety Profile

Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also MERCAPTANS.
Hazard Codes:  Xi Irritant
Risk Statements:  36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements:  26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany:  3
RTECS: NI8515000
F:  10

Imidazole-2-thiol Specification

Removal in wastewater treatment of  Imidazole-2-thiol (CAS NO.872-35-5):
Total removal:1.90  percent
Total biodegradation:0.09  percent
Total sludge adsorption:1.75  percent
Total to air:0.05  percent
(using 10000 hr Bio P,A,S)

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