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2-(METHYLTHIO)PHENYL ISOTHIOCYANATE

2-(METHYLTHIO)PHENYL ISOTHIOCYANATE structure

CAS No:
51333-75-6
Formula:
C8H7NS2
Chemical Name:
2-(METHYLTHIO)PHENYL ISOTHIOCYANATE
Synonyms:
1-Isothiocyanato-2-(methylsulfanyl)benzene;2-(METHYLTHIO)PHENYL ISOTHIOCYANATE
Categories:
Chemical Reagents > Organic Reagents

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2-(METHYLTHIO)PHENYL ISOTHIOCYANATE Basic Attributes

Molecular Weight：

181.28

Exact Mass：

181.00200

BRN：

3243502

EC Number：

-0

DSSTox ID：

DTXSID50199332

HScode：

2930909090

Characteristics

PSA：

69.8

XLogP3：

3.14280

Density：

1.227

Boiling Point：

149-150 °C10 mm Hg(lit.)

Flash Point：

>230 °F

Refractive Index：

n20/D 1.695(lit.)

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 3265 8/PG 2

wgk germany：

hazard class code：

safety instructions：

26-27-36/37/39-45

Marks：

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (11.63%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:181.3
XLogP3:3.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:181.00199157
Monoisotopic Mass:181.00199157
Topological Polar Surface Area:69.8
Heavy Atom Count:11
Complexity:164
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(METHYLTHIO)PHENYL ISOTHIOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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2-(METHYLTHIO)PHENYL ISOTHIOCYANATE

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