Hydrazinecarbothioamide,N-hexyl- supplier

Name
4-HEXYL-3-THIOSEMICARBAZIDE
EINECS
CAS No. 53347-40-3
Article Data3
CAS DataBase
Density 1.028 g/cm³
Solubility
Melting Point 57-60 °C
Formula C₇H₁₇N₃S
Boiling Point 262.1 °C at 760 mmHg
Molecular Weight 175.298
Flash Point 112.3 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms Semicarbazide,4-hexyl-3-thio- (7CI);4-Hexylthiosemicarbazide;(Hexylamino)hydrazinomethane-1-thione;4-Hexyl-3-thiosemicarbazide;N-Hexylhydrazinecarbothioamide;AC1MC024;ZINC02169726;SBB017696;1-Amino-3-hexylthiourea;
PSA 82.17000
LogP 2.38660

Hydrazinecarbothioamide,N-hexyl- Specification

The Hydrazinecarbothioamide,N-hexyl- with CAS registry number of 53347-40-3 is also known as (Hexylamino)hydrazinomethane-1-thione. The IUPAC name is 1-Amino-3-hexylthiourea. In addition, the formula is C₇H₁₇N₃S and the molecular weight is 175.30.

Physical properties about Hydrazinecarbothioamide,N-hexyl- are: (1)ACD/LogP: 1.84; (2)ACD/LogD (pH 5.5): 1.84; (3)ACD/LogD (pH 7.4): 1.84; (4)ACD/BCF (pH 5.5): 14.66; (5)ACD/BCF (pH 7.4): 14.64; (6)ACD/KOC (pH 5.5): 237.87; (7)ACD/KOC (pH 7.4): 237.6; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.528; (12)Molar Refractivity: 52.49 cm³; (13)Molar Volume: 170.3 cm³; (14)Surface Tension: 45.3 dyne/cm; (15)Density: 1.028 g/cm³; (16)Flash Point: 112.3 °C; (17)Enthalpy of Vaporization: 49.98 kJ/mol; (18)Boiling Point: 262.1 °C at 760 mmHg; (19)Vapour Pressure: 0.0111 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCCCCCNC(=S)NN
2. InChI: InChI=1S/C7H17N3S/c1-2-3-4-5-6-9-7(11)10-8/h2-6,8H2,1H3,(H2,9,10,11)
3. InChIKey: JYGCXTZCHMEVCG-UHFFFAOYSA-N

Product Name

4-HEXYL-3-THIOSEMICARBAZIDE

Hydrazinecarbothioamide,N-hexyl- Specification

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