Basic information
- Name:
Benzenesulfonic acid,4-methyl-, 2-(aminocarbonyl)hydrazide
- Superlist Name:
- 4-Toluenesulfonyl semicarbazide
- CAS No.:
10396-10-8
- Molecular Structure:
- Formula:
- C8H11N3O3S
- Molecular Weight:
- 229.26
- Synonyms:
- Semicarbazide,1-(p-tolylsulfonyl)- (7CI,8CI);1-(p-Tolylsulfonyl)semicarbazide;1-Tosylsemicarbazide;Blo Foam RA;Celogen RA;Unicell TS;p-Toluenesulfonylsemicarbazide;
- EINECS:
- 233-857-6
- Density:
- 1.381 g/cm3
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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