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CYCLOPROPYLMETHYLISOTHIOCYANATE

CYCLOPROPYLMETHYLISOTHIOCYANATE structure

CAS No:
6068-90-2
Formula:
C5H7NS
Chemical Name:
CYCLOPROPYLMETHYLISOTHIOCYANATE
Synonyms:
Cyclopropylmethyl isothiocyanate;(isothiocyanatomethyl)cyclopropane;Cyclopropylmethylisothiocyanate;isothiocyanatomethylcyclopropane;Cyclopropane, (isothiocyanatomethyl)-;cyclopropylmethanisothiocyanate;SCHEMBL569528;(Cyclopropylmethyl)isothiocyanate;CTK2F2517;DTXSID70383655

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CYCLOPROPYLMETHYLISOTHIOCYANATE Basic Attributes

Molecular Weight：

113.18100

Exact Mass：

113.03000

DSSTox ID：

DTXSID70383655

HScode：

2930909090

Characteristics

PSA：

44.45000

XLogP3：

1.49920

Density：

1.16g/cm3

Boiling Point：

191.2ºC at 760 mmHg

Flash Point：

63.7ºC

Refractive Index：

1.602

Safety Information

hazard class code：

R20/21/22;R34

safety instructions：

S26-S36/37/39-S45

Marks：

C,T

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:113.18
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:113.02992040
Monoisotopic Mass:113.02992040
Topological Polar Surface Area:44.4
Heavy Atom Count:7
Complexity:101
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of CYCLOPROPYLMETHYLISOTHIOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties

CYCLOPROPYLMETHYLISOTHIOCYANATE

SDS

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