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Cas Database |
| Name |
p-Toluenesulfonyl semicarbazide |
EINECS | 233-857-6 |
| CAS No. | 10396-10-8 | Density | 1.381 g/cm3 |
| PSA | 109.67000 | LogP | 2.41950 |
| Solubility | N/A | Melting Point |
236 °C |
| Formula | C8H11N3O3S | Boiling Point | N/A |
| Molecular Weight | 229.26 | Flash Point | N/A |
| Transport Information | N/A | Appearance | white powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Article Data | 11 |
p-Toluenesulfonyl semicarbazide Synthetic route
- 4426-72-6, 51433-48-8
hydrazine carboxamide
- 98-59-9
p-toluenesulfonyl chloride
- 10396-10-8
N4-(4-Toluenesulfonyl)semicarbazide
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| In dimethyl sulfoxide |
- 10396-10-8
N4-(4-Toluenesulfonyl)semicarbazide
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With potassium hydroxide |
- 10396-10-8
N4-(4-Toluenesulfonyl)semicarbazide
- 541-41-3
chloroformic acid ethyl ester
- 60226-46-2
C11H15N3O5S
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With triethylamine In water |
| Conditions | Yield |
|---|---|
| With potassium hydroxide |
- 10396-10-8
N4-(4-Toluenesulfonyl)semicarbazide
- 592-34-7
carbonochloridic acid, butyl ester
- 60226-47-3
C13H19N3O5S
| Conditions | Yield |
|---|---|
| With potassium hydroxide |
| Conditions | Yield |
|---|---|
| With potassium hydroxide |
p-Toluenesulfonyl semicarbazide 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
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