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1-(4-methoxyphenyl)-2H-tetrazole-5-thione

1-(4-methoxyphenyl)-2H-tetrazole-5-thione structure

CAS No:
13980-76-2
Formula:
C8H8N4OS
Chemical Name:
1-(4-methoxyphenyl)-2H-tetrazole-5-thione
Synonyms:
5-Mercapto-1-(4-methoxyphenyl)-1H-tetrazole;

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1-(4-methoxyphenyl)-2H-tetrazole-5-thione Basic Attributes

Molecular Weight：

208.24000

Exact Mass：

208.04188206 g/mol

DSSTox ID：

DTXSID80351289

HScode：

2933990090

Characteristics

PSA：

91.63000

XLogP3：

0.95960

Density：

1.45g/cm3

Melting Point：

156-160ºC

Boiling Point：

305.9ºC

Flash Point：

138.8ºC

Refractive Index：

1.707

Vapor Pressure：

0.000798mmHg at 25°C

Safety Information

Transport codes：

UN 1325

hazard class code：

R11

safety instructions：

7/9-15-16-33

GHS Classification：

|Warning|H228 (100%): Flammable solid [Danger Flammable solids]|P210, P240, P241, P280, and P370+P378|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:208.24
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:208.04188206
Monoisotopic Mass:208.04188206
Topological Polar Surface Area:81.3
Heavy Atom Count:14
Complexity:250
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(4-methoxyphenyl)-2H-tetrazole-5-thione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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