2H-Tetrazole, 5-[[(4-chlorophenyl)thio]methyl]- supplier

Name
5-(4-CHLOROPHENYLTHIOMETHYL)TETRAZOLE
EINECS
CAS No. 18527-31-6
Article Data3
CAS DataBase
Density 1.5 g/cm³
Solubility
Melting Point 159-160 °C
Formula C₈H₇ClN₄S
Boiling Point 412 °C at 760 mmHg
Molecular Weight 226.689
Flash Point 203 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 1H-Tetrazole,5-[[(4-chlorophenyl)thio]methyl]- (9CI);1H-Tetrazole,5-[[(p-chlorophenyl)thio]methyl]- (8CI);
PSA 79.76000
LogP 2.14540

2H-Tetrazole, 5-[[(4-chlorophenyl)thio]methyl]- Specification

This chemical is called 2H-Tetrazole, 5-[[(4-chlorophenyl)thio]methyl]-, and its CAS registry number is 18527-31-6. With the molecular formula of C₈H₇ClN₄S, its molecular weight is 226.69.

Other characteristics of the c2H-Tetrazole, 5-[[(4-chlorophenyl)thio]methyl]- can be summarised as followings: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 1.55; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.8; (8)ACD/KOC (pH 7.4): 3.31; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 68.9 Å²; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 56.25 cm³; (15)Molar Volume: 150.3 cm³; (16)Polarizability: 22.3×10^-24cm³; (17)Surface Tension: 83.8 dyne/cm; (18)Density: 1.5 g/cm³; (19)Flash Point: 203 °C; (20)Enthalpy of Vaporization: 66.46 kJ/mol; (21)Boiling Point: 412 °C at 760 mmHg; (22)Vapour Pressure: 5.34E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc2ccc(SCc1nnnn1)cc2
2.InChI: InChI=1/C8H7ClN4S/c9-6-1-3-7(4-2-6)14-5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)
3.InChIKey: CHUZWYSHNLSTHB-UHFFFAOYAT

Product Name

5-(4-CHLOROPHENYLTHIOMETHYL)TETRAZOLE

2H-Tetrazole, 5-[[(4-chlorophenyl)thio]methyl]- Specification

Related Products

Hot Products