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2-methylsulfanylcyclohepta-2,4,6-triene-1-thione

2-methylsulfanylcyclohepta-2,4,6-triene-1-thione structure

CAS No:
128742-65-4
Formula:
C8H8S2
Chemical Name:
2-methylsulfanylcyclohepta-2,4,6-triene-1-thione
Synonyms:
2-Methylthio-2,4,6-cycloheptatrien-1-thion;

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2-methylsulfanylcyclohepta-2,4,6-triene-1-thione Basic Attributes

Molecular Weight：

168.27900

Exact Mass：

168.00674260

DSSTox ID：

DTXSID70376289

Characteristics

PSA：

57.39000

XLogP3：

3.13800

Density：

1.19g/cm3

Boiling Point：

277.1ºC at 760 mmHg

Flash Point：

121.4ºC

Refractive Index：

1.651

Vapor Pressure：

0.00777mmHg at 25°C

Computed Properties

Molecular Weight:168.3
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:168.00674260
Monoisotopic Mass:168.00674260
Topological Polar Surface Area:57.4
Heavy Atom Count:10
Complexity:221
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-methylsulfanylcyclohepta-2,4,6-triene-1-thione

Basic Attributes
Characteristics
Computed Properties

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