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5-ISOTHIOCYANATO-BICYCLO[2.2.1]HEPT-2-ENE

5-ISOTHIOCYANATO-BICYCLO[2.2.1]HEPT-2-ENE structure

CAS No:
92819-45-9
Formula:
C8H9NS
Chemical Name:
5-ISOTHIOCYANATO-BICYCLO[2.2.1]HEPT-2-ENE
Synonyms:
5-isothiocyanatobicyclo[2.2.1]hept-2-ene;5-Isothiocyanato-bicyclo[2.2.1]hept-2-ene;bicyclo[2.2.1]hept-5-en-2-yl isothiocyanate;bicyclo[2.2.1]hept-5-en-2-ylisothiocyanate;SCHEMBL4936339;CTK5H1737;DTXSID10380648;BBL028226;STK802073;AKOS006229825

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5-ISOTHIOCYANATO-BICYCLO[2.2.1]HEPT-2-ENE Basic Attributes

Molecular Weight：

151.22900

Exact Mass：

151.04600

DSSTox ID：

DTXSID10380648

HScode：

2930909090

Characteristics

PSA：

44.45000

XLogP3：

2.05380

Density：

1.28g/cm3

Boiling Point：

250.1ºC at 760mmHg

Flash Point：

104.9ºC

Refractive Index：

1.685

Safety Information

Transport codes：

UN 2811

hazard class code：

R20/21/22

safety instructions：

26-36/37/39

Marks：

Xi: Irritant;

Computed Properties

Molecular Weight:151.23
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:151.04557046
Monoisotopic Mass:151.04557046
Topological Polar Surface Area:44.4
Heavy Atom Count:10
Complexity:215
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-ISOTHIOCYANATO-BICYCLO[2.2.1]HEPT-2-ENE

Basic Attributes
Characteristics
Safety Information
Computed Properties

5-ISOTHIOCYANATO-BICYCLO[2.2.1]HEPT-2-ENE

SDS

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