5H-Tetrazole-5-thione,1,2-dihydro-1-(3-methylphenyl)- supplier

Name
1-M-TOLYL-1H-TETRAZOLE-5-THIOL
EINECS
CAS No. 41401-38-1
Article Data1
CAS DataBase
Density 1.4 g/cm³
Solubility
Melting Point 173 °C
Formula C₈H₈N₄S
Boiling Point 278.4 °C at 760 mmHg
Molecular Weight 192.244
Flash Point 122.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-m-Tolyl-1H-tetrazole-5-thiol;1-m-Tolyltetrazoline-5-thione;
PSA 82.40000
LogP 1.25940

5H-Tetrazole-5-thione,1,2-dihydro-1-(3-methylphenyl)- Specification

The CAS register number of 5H-Tetrazole-5-thione,1,2-dihydro-1-(3-methylphenyl)- is 41401-38-1. It also can be called as 1H-tetrazole-5-thiol, 1-(3-methylphenyl)- and the systematic name about this chemical is 1-(3-methylphenyl)-1,2-dihydro-5H-tetrazole-5-thione. The molecular formula about this chemical is C₈H₈N₄S and the molecular weight is 192.2409.

Physical properties about 5H-Tetrazole-5-thione,1,2-dihydro-1-(3-methylphenyl)- are: (1)ACD/LogP: 1.12; (2)ACD/LogD (pH 5.5): 2.29; (3)ACD/LogD (pH 7.4): 2.18; (4)ACD/BCF (pH 5.5): 32.27; (5)ACD/BCF (pH 7.4): 25.11; (6)ACD/KOC (pH 5.5): 417.99; (7)ACD/KOC (pH 7.4): 325.21; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 63.29Å²; (12)Index of Refraction: 1.727; (13)Molar Refractivity: 54.57 cm³; (14)Molar Volume: 137 cm³; (15)Polarizability: 21.63x10^-24cm³; (16)Surface Tension: 52.1 dyne/cm; (17)Enthalpy of Vaporization: 51.7 kJ/mol; (18)Boiling Point: 278.4 °C at 760 mmHg; (19)Vapour Pressure: 0.00428 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C2/N=N\NN2c1cccc(c1)C
(2)InChI: InChI=1/C8H8N4S/c1-6-3-2-4-7(5-6)12-8(13)9-10-11-12/h2-5H,1H3,(H,9,11,13)
(3)InChIKey: KGKMQZXVDKMKRL-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H8N4S/c1-6-3-2-4-7(5-6)12-8(13)9-10-11-12/h2-5H,1H3,(H,9,11,13)
(5)Std. InChIKey: KGKMQZXVDKMKRL-UHFFFAOYSA-N

Product Name

1-M-TOLYL-1H-TETRAZOLE-5-THIOL

5H-Tetrazole-5-thione,1,2-dihydro-1-(3-methylphenyl)- Specification

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