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3-(chloromethyl)-1,3-benzothiazole-2-thione

3-(chloromethyl)-1,3-benzothiazole-2-thione structure

CAS No:
41526-42-5
Formula:
C8H6ClNS2
Chemical Name:
3-(chloromethyl)-1,3-benzothiazole-2-thione
Synonyms:
3-chloromethyl-3H-benzothiazole-2-thione; N-Chloromethyl-benzothiazole-2-thione; 3-Chlormethyl-3H-benzothiazol-2-thion; 3-(chloromethyl)-3-hydrobenzothiazole-2-thione; 2(3h)-benzothiazolethione,3-(chloromethyl); 3-chloromethyl-3h-benzothiazol-2-thione;Expand

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3-(chloromethyl)-1,3-benzothiazole-2-thione Basic Attributes

Molecular Weight：

215.72300

Exact Mass：

214.9630192 g/mol

DSSTox ID：

DTXSID90352929

HScode：

2934999090

Characteristics

PSA：

65.26000

XLogP3：

3.62860

Density：

1.52g/cm3

Melting Point：

126-131ºC

Boiling Point：

338.9ºC at 760 mmHg

Flash Point：

158.8ºC

Refractive Index：

1.754

Safety Information

hazard class code：

R43; R38; R21/22

safety instructions：

36/37-24

Marks：

Computed Properties

Molecular Weight:215.7
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:214.9630192
Monoisotopic Mass:214.9630192
Topological Polar Surface Area:60.6
Heavy Atom Count:12
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(chloromethyl)-1,3-benzothiazole-2-thione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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