Hydrazinecarbothioamide, N-methyl-N-phenyl- supplier

Name
4-(4-METHYLPHENYL)-3-THIOSEMICARBAZIDE
EINECS
CAS No. 21076-11-9
Article Data11
CAS DataBase
Density 1.27 g/cm³
Solubility
Melting Point 135-136 °C
Formula C₈H₁₁N₃S
Boiling Point 302.7 °C at 760 mmHg
Molecular Weight 181.261
Flash Point 136.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Semicarbazide, 4-methyl-4-phenyl-3-thio- (6CI,7CI,8CI);4-Methyl-4-phenyl-3-thiosemicarbazide;4-Methyl-4-phenylthiosemicarbazide;4-(4-Methylphenyl)-3-thiosemicarbazide;
PSA 82.17000
LogP 2.31930

Hydrazinecarbothioamide, N-methyl-N-phenyl- Specification

The Hydrazinecarbothioamide, N-methyl-N-phenyl-, with the CAS registry number 21076-11-9, is also known as 4-(4-Methylphenyl)-3-thiosemicarbazide. This chemical's molecular formula is C₈H₁₁N₃S and molecular weight is 181.26. What's more, its systematic name is N-(4-Methylphenyl)hydrazinecarbothioamide. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Hydrazinecarbothioamide, N-methyl-N-phenyl- are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 6.74; (6)ACD/BCF (pH 7.4): 6.71; (7)ACD/KOC (pH 5.5): 136.33; (8)ACD/KOC (pH 7.4): 135.79; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.81 Å²; (13)Index of Refraction: 1.699; (14)Molar Refractivity: 55.1 cm³; (15)Molar Volume: 142.6 cm³; (16)Polarizability: 21.84×10^-24cm³; (17)Surface Tension: 66.4 dyne/cm; (18)Density: 1.27 g/cm³; (19)Flash Point: 136.8 °C; (20)Enthalpy of Vaporization: 54.29 kJ/mol; (21)Boiling Point: 302.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000977 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(Nc1ccc(cc1)C)NN
(2)InChI: InChI=1/C8H11N3S/c1-6-2-4-7(5-3-6)10-8(12)11-9/h2-5H,9H2,1H3,(H2,10,11,12)
(3)InChIKey: IEAWRKQVDLFINI-UHFFFAOYAZ

Product Name

4-(4-METHYLPHENYL)-3-THIOSEMICARBAZIDE

Hydrazinecarbothioamide, N-methyl-N-phenyl- Specification

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