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2-(Phenylthio)aniline

2-(Phenylthio)aniline structure

CAS No:
1134-94-7
Formula:
C12H11NS
Chemical Name:
2-(Phenylthio)aniline
Synonyms:
Benzenamine,2-(phenylthio)-;Aniline,o-(phenylthio)-;2-(Phenylthio)benzenamine;2-Aminophenyl phenyl sulfide;o-(Phenylthio)aniline;2-Aminodiphenyl sulfide;2-Aminophenyl phenyl thioether;2-(Phenylsulfanyl)phenylamine;2-(Phenylthio)aniline;2-Phenylsulfanylaniline
Categories:
Chemical Reagents > Organic Reagents

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2-(Phenylthio)aniline Basic Attributes

Molecular Weight：

201.29

Exact Mass：

201.29

EC Number：

413-030-8

DSSTox ID：

DTXSID60327124

HScode：

2930909090

Characteristics

PSA：

51.3

XLogP3：

3.3

Appearance：

gray-brown

Density：

1.19±0.1 g/cm3(Predicted)

Melting Point：

31-32 °C

Boiling Point：

258 °C / 100mmHg

Flash Point：

175 °C

Refractive Index：

1.675

Vapor Pressure：

0.000166mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3077 9/PG 3

wgk germany：

hazard class code：

43-51/53

safety instructions：

24-37-61

Marks：

Xi,N

Precautionary statement(s)：

P273-P280

Hazard Statements：

H317-H411

GHS Classification：

|Warning|H317: May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|Aggregated GHS information provided by 71 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]|P260, P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P314, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Not Classified

Drug Information

MeSH Entry Terms：

2-(phenylthio)aniline

2-(Phenylthio)aniline Use and Manufacturing

2-Aminodiphenyl Sulfide is a pharmacopeial impurity of Quetiapine Hemifumarate (Q510000), an antipsychotic drug.

Computed Properties

Molecular Weight:201.29
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:201.06122053
Monoisotopic Mass:201.06122053
Topological Polar Surface Area:51.3
Heavy Atom Count:14
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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