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3-(METHYLTHIO)PHENYL ISOTHIOCYANATE

3-(METHYLTHIO)PHENYL ISOTHIOCYANATE structure

CAS No:
51333-80-3
Formula:
C8H7NS2
Chemical Name:
3-(METHYLTHIO)PHENYL ISOTHIOCYANATE
Synonyms:
3-(METHYLTHIO)PHENYL ISOTHIOCYANATE;1-ISOTHIOCYANATO-3-METHYLSULFANYL-BENZENE;1-isothiocyanato-3-(methylthio)benzene
Categories:
Chemical Reagents > Organic Reagents

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3-(METHYLTHIO)PHENYL ISOTHIOCYANATE Basic Attributes

Molecular Weight：

181.28

Exact Mass：

181.00200

BRN：

2208144

DSSTox ID：

DTXSID10199333

HScode：

2930909090

Characteristics

PSA：

69.8

XLogP3：

3.14280

Density：

1.211 g/mL at 25 °C(lit.)

Boiling Point：

306-307 °C(lit.)

Flash Point：

>230 °F

Refractive Index：

n20/D >1.3930(lit.)

Storage Conditions：

Keep Cold

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2810

wgk germany：

hazard class code：

20/21/22-36/37/38-42

safety instructions：

23-26-36

Marks：

Xn,T

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P285, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P285, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:181.3
XLogP3:3.9
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 3-(METHYLTHIO)PHENYL ISOTHIOCYANATE

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

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