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1-methyl-2-(4-nitrophenyl)sulfanylbenzene

1-methyl-2-(4-nitrophenyl)sulfanylbenzene structure

CAS No:
6640-56-8
Formula:
C13H11NO2S
Chemical Name:
1-methyl-2-(4-nitrophenyl)sulfanylbenzene
Synonyms:
4-((2-methylphenyl)thio)nitrobenzene; (4-nitrophenyl)(2-tolyl)sulfane; <4-Nitro-phenyl>--sulfid; 1-methyl-2-[(4-nitrophenyl)sulfanyl]benzene; (4-Nitro-phenyl)-o-tolyl-sulfid; (4-nitro-phenyl)-o-tolyl sulfide; 2-methyl-4'-nitrodiphenylsulfide;Expand

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1-methyl-2-(4-nitrophenyl)sulfanylbenzene Basic Attributes

Molecular Weight：

245.29700

Exact Mass：

245.05104977 g/mol

NSC Number：

48967

DSSTox ID：

DTXSID80287110

Characteristics

PSA：

71.12000

XLogP3：

4.57760

Density：

1.27g/cm3

Boiling Point：

382.4ºC at 760 mmHg

Flash Point：

185.1ºC

Refractive Index：

1.65

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:245.30
XLogP3:4.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:245.05104977
Monoisotopic Mass:245.05104977
Topological Polar Surface Area:71.1
Heavy Atom Count:17
Complexity:259
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-methyl-2-(4-nitrophenyl)sulfanylbenzene

Basic Attributes
Characteristics
Safety Information
Computed Properties

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