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3-METHYLBENZYLISOTHIOCYANATE

3-METHYLBENZYLISOTHIOCYANATE structure

CAS No:
3696-66-0
Formula:
C9H9NS
Chemical Name:
3-METHYLBENZYLISOTHIOCYANATE
Synonyms:
3-Methylbenzyl isothiocyanate;1-(Isothiocyanatomethyl)-3-methylbenzene;Benzene,1-(isothiocyanatomethyl)-3-methyl-;1-(isothiocyanatomethyl)-3-methyl-benzene;1-isothiocyanatomethyl-3-methyl-benzene;SCHEMBL2341886;CTK4H7484;DTXSID20190457;ZINC2528115;GEO-02500

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3-METHYLBENZYLISOTHIOCYANATE Basic Attributes

Molecular Weight：

148.205

Exact Mass：

148.100052

DSSTox ID：

DTXSID20190457

HScode：

2930909090

Characteristics

PSA：

44.45000

XLogP3：

0.68

Density：

1.1±0.1 g/cm3

Boiling Point：

277.3±28.0 °C at 760 mmHg

Flash Point：

146.0±11.2 °C

Refractive Index：

1.566

Safety Information

hazard class code：

R20/21/22

safety instructions：

26-36/37/39

Computed Properties

Molecular Weight:163.24
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:163.04557046
Monoisotopic Mass:163.04557046
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: sulfuryl fluoride; ch3cl; boron trifluoride; amber acid; n2o3 name; acetate molecular formula

Guide of 3-METHYLBENZYLISOTHIOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-METHYLBENZYLISOTHIOCYANATE

SDS

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