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CYCLOHEPTYLISOTHIOCYANATE

CYCLOHEPTYLISOTHIOCYANATE structure

CAS No:
81542-16-7
Formula:
C8H13NS
Chemical Name:
CYCLOHEPTYLISOTHIOCYANATE
Synonyms:
Cycloheptyl Isothiocyanate;isothiocyanatocycloheptane;Cycloheptylisothiocyanate;Cycloheptane,isothiocyanato-;SCHEMBL5970910;CTK5E8887;DTXSID00383643;ZINC4254038;AKOS003353252;FS-4611

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CYCLOHEPTYLISOTHIOCYANATE Basic Attributes

Molecular Weight：

155.26100

Exact Mass：

155.07700

DSSTox ID：

DTXSID00383643

HScode：

2930909090

Characteristics

PSA：

44.45000

XLogP3：

2.81200

Density：

1.03 g/cm3

Boiling Point：

88ºC

Flash Point：

102.8ºC

Refractive Index：

1.5414

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

Computed Properties

Molecular Weight:155.26
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:155.07687059
Monoisotopic Mass:155.07687059
Topological Polar Surface Area:44.4
Heavy Atom Count:10
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of CYCLOHEPTYLISOTHIOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties

CYCLOHEPTYLISOTHIOCYANATE

SDS

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