5H-Tetrazole-5-thione,1-cyclohexyl-1,2-dihydro- supplier

Name
1-CYCLOHEXYL-1H-TETRAZOLE-5-THIOL
EINECS
CAS No. 49847-44-1
Article Data4
CAS DataBase
Density 1.51 g/cm³
Solubility
Melting Point
Formula C₇H₁₂N₄S
Boiling Point 239.5 °C at 760 mmHg
Molecular Weight 184.265
Flash Point 98.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Tetrazoline-5-thione,1-cyclohexyl- (7CI);1-Cyclohexyl-1H-tetrazole-5-thiol;1-Cyclohexyl-5-tetrazolethiol;NSC 176343;
PSA 82.40000
LogP 1.46700

5H-Tetrazole-5-thione,1-cyclohexyl-1,2-dihydro- Specification

The 5H-Tetrazole-5-thione,1-cyclohexyl-1,2-dihydro-, with the CAS registry number 49847-44-1, has the systematic name of 1-cyclohexyl-1,2-dihydro-5H-tetrazole-5-thione. It is a kind of irritant chemical, and the molecular formula of the chemical is C₇H₁₂N₄S.

The characteristics of 5H-Tetrazole-5-thione,1-cyclohexyl-1,2-dihydro- are as followings: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.34; (4)ACD/LogD (pH 7.4): -0.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.12; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 63.29 Å²; (13)Index of Refraction: 1.76; (14)Molar Refractivity: 50.14 cm³; (15)Molar Volume: 121.7 cm³; (16)Polarizability: 19.88×10^-24cm³; (17)Surface Tension: 58.8 dyne/cm; (18)Density: 1.51 g/cm³; (19)Flash Point: 98.6 °C; (20)Enthalpy of Vaporization: 47.64 kJ/mol; (21)Boiling Point: 239.5 °C at 760 mmHg; (22)Vapour Pressure: 0.04 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S=C1/N=N\NN1C2CCCCC2
(2)InChI: InChI=1/C7H12N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,10,12)
(3)InChIKey: UFYPTOJTJONMJG-UHFFFAOYAR

Product Name

1-CYCLOHEXYL-1H-TETRAZOLE-5-THIOL

5H-Tetrazole-5-thione,1-cyclohexyl-1,2-dihydro- Specification

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