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10396-10-8

Basic Information
CAS No.: 10396-10-8
Name: p-Toluenesulfonyl semicarbazide
Article Data: 11
Molecular Structure:
Molecular Structure of 10396-10-8 (p-Toluenesulfonyl semicarbazide)
Formula: C8H11N3O3S
Molecular Weight: 229.26
Synonyms: Benzenesulfonic acid,4-methyl-, 2-(aminocarbonyl)hydrazide;Semicarbazide,1-(p-tolylsulfonyl)- (7CI,8CI);1-(p-Tolylsulfonyl)semicarbazide;1-Tosylsemicarbazide;Blo Foam RA;Celogen RA;Unicell TS;p-Toluenesulfonylsemicarbazide;4-Toluenesulfonyl semicarbazide;
EINECS: 233-857-6
Density: 1.381 g/cm3
Melting Point: 236 °C
Appearance: white powder
PSA: 109.67000
LogP: 2.41950
Synthetic route
4426-72-6, 51433-48-8

hydrazine carboxamide

98-59-9

p-toluenesulfonyl chloride

10396-10-8

N4-(4-Toluenesulfonyl)semicarbazide

Conditions
ConditionsYield
aluminum oxide for 0.25h;83%
With potassium carbonate In tetrahydrofuran; methanol Acylation;
123-77-3

Azodicarboxamid

824-79-3

sodium 4-methylbenzenesulfinate

10396-10-8

N4-(4-Toluenesulfonyl)semicarbazide

Conditions
ConditionsYield
In dimethyl sulfoxide

C9H9Cl3N2O4S

10396-10-8

N4-(4-Toluenesulfonyl)semicarbazide

Conditions
ConditionsYield
With ammonium chloride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 0.166667h;
2157-16-6

1,4-butanediol bis(chloroformate)

10396-10-8

N4-(4-Toluenesulfonyl)semicarbazide

60226-44-0

C22H28N6O10S2

Conditions
ConditionsYield
With potassium hydroxide
10396-10-8

N4-(4-Toluenesulfonyl)semicarbazide

541-41-3

chloroformic acid ethyl ester

60226-46-2

C11H15N3O5S

Conditions
ConditionsYield
With potassium hydroxide
10396-10-8

N4-(4-Toluenesulfonyl)semicarbazide

108-23-6

isopropyl chloroformate

60226-36-0

1-p-Toluenesulfonyl-1-Carbisopropoxy-2-Carbamyl Hydrazine

Conditions
ConditionsYield
With potassium hydroxide
10396-10-8

N4-(4-Toluenesulfonyl)semicarbazide

107-13-1

acrylonitrile

16019-18-4

N,N,N'-Tris-(2-cyan-aethyl)-N'-p-toluolsulfonylhydrazin

Conditions
ConditionsYield
With triethylamine In water
10396-10-8

N4-(4-Toluenesulfonyl)semicarbazide

79-22-1

methyl chloroformate

60226-45-1

C10H13N3O5S

Conditions
ConditionsYield
With potassium hydroxide
10396-10-8

N4-(4-Toluenesulfonyl)semicarbazide

592-34-7

carbonochloridic acid, butyl ester

60226-47-3

C13H19N3O5S

Conditions
ConditionsYield
With potassium hydroxide
10396-10-8

N4-(4-Toluenesulfonyl)semicarbazide

1885-14-9

phenyl chloroformate

60226-49-5

C15H15N3O5S

Conditions
ConditionsYield
With potassium hydroxide
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    Product name: P-Toluenesulfonyl Semicarbazide CAS No.:10396-10-8 Molecule Formula:C8H11N3O3S Molecule Weight:229.26 Purity: 98.0% Package: 25kg/drum Description:White powder Manufacture Standards:Enterprise Standard

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Specification

The p-Toluenesulfonyl Semicarbazide is an organic compound with the formula C8H11N3O3S. The systematic name of this chemical is 2-[(4-methylphenyl)sulfonyl]hydrazinecarboxamide. With the CAS registry number 10396-10-8 and EINECS 233-857-6, it is also named as Benzenesulfonic acid, 4-methyl-, 2-(aminocarbonyl)hydrazide. What's more, it is used in foaming of PVC and other plastics and natural synthetic rubber.

The other characteristics of p-Toluenesulfonyl Semicarbazide can be summarized as:
 (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.18; (4)ACD/LogD (pH 7.4): 0.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.91; (8)ACD/KOC (pH 7.4): 26.23; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 69.31 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 55.86 cm3; (15)Molar Volume: 165.9 cm3; (16)Polarizability: 22.14×10-24 cm3; (17)Surface Tension: 55.5 dyne/cm; (18)Density: 1.381 g/cm3.

People can use the following data to convert to the molecule structure.
1. SMILES:O=S(=O)(c1ccc(cc1)C)NNC(=O)N
2. InChI:InChI=1/C8H11N3O3S/c1-6-2-4-7(5-3-6)15(13,14)11-10-8(9)12/h2-5,11H,1H3,(H3,9,10,12)
3. InChIKey:VRFNYSYURHAPFL-UHFFFAOYAQ
4. Std. InChI:InChI=1S/C8H11N3O3S/c1-6-2-4-7(5-3-6)15(13,14)11-10-8(9)12/h2-5,11H,1H3,(H3,9,10,12)
5. Std. InChIKey:VRFNYSYURHAPFL-UHFFFAOYSA-N