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3-(ETHYLTHIO)-6,6-DIMETHYL-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBONITRILE

3-(ETHYLTHIO)-6,6-DIMETHYL-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBONITRILE structure

CAS No:
175202-70-7
Formula:
C13H15NOS2
Chemical Name:
3-(ETHYLTHIO)-6,6-DIMETHYL-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBONITRILE
Synonyms:
3-(ETHYLTHIO)-6,6-DIMETHYL-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBONITRILE;1-CYANO-6,6-DIMETHYL-3-ETHYLTHIO-4,5,6,7-TETRAHYDROBENZO(C)THIOPHEN-4-ONE;3-(ethylthio)-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiop

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3-(ETHYLTHIO)-6,6-DIMETHYL-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBONITRILE Basic Attributes

Molecular Weight：

265.39

Exact Mass：

265.06000

DSSTox ID：

DTXSID10381150

Characteristics

PSA：

94.4

XLogP3：

3.88688

Density：

1.24g/cm3

Melting Point：

150 °C

Boiling Point：

404.5ºC at 760 mmHg

Flash Point：

198.4ºC

Refractive Index：

1.597

Vapor Pressure：

9.43E-07mmHg at 25°C

Computed Properties

Molecular Weight:265.4
XLogP3:3.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:265.05950645
Monoisotopic Mass:265.05950645
Topological Polar Surface Area:94.4
Heavy Atom Count:17
Complexity:371
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(ETHYLTHIO)-6,6-DIMETHYL-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBONITRILE

Basic Attributes
Characteristics
Computed Properties

3-(ETHYLTHIO)-6,6-DIMETHYL-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBONITRILE

SDS

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