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3-CYANOMETHYL-2-METHYLBENZO[B]THIOPHENE

3-CYANOMETHYL-2-METHYLBENZO[B]THIOPHENE structure

CAS No:
91093-21-9
Formula:
C11H9NS
Chemical Name:
3-CYANOMETHYL-2-METHYLBENZO[B]THIOPHENE
Synonyms:
3-Cyanomethyl-2-methylbenzo[b]thiophene;2-(2-METHYL-1-BENZOTHIOPHEN-3-YL)ACETONITRILE;N-HEXYLASPARTICACID;SCHEMBL9270189;CTK5G8934;DTXSID20598459;ZINC2513859;AKOS006277302;AB16604;AC-12337

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3-CYANOMETHYL-2-METHYLBENZO[B]THIOPHENE Basic Attributes

Molecular Weight：

187.26100

Exact Mass：

187.04600

DSSTox ID：

DTXSID20598459

Characteristics

PSA：

52.03000

XLogP3：

3.27578

Density：

1.204g/cm3

Boiling Point：

355.5ºC at 760mmHg

Flash Point：

168.8ºC

Refractive Index：

1.65

Computed Properties

Molecular Weight:187.26
XLogP3:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:187.04557046
Monoisotopic Mass:187.04557046
Topological Polar Surface Area:52
Heavy Atom Count:13
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-CYANOMETHYL-2-METHYLBENZO[B]THIOPHENE

Basic Attributes
Characteristics
Computed Properties

3-CYANOMETHYL-2-METHYLBENZO[B]THIOPHENE

SDS

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