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2-(isopropylthio)aniline

2-(isopropylthio)aniline structure

CAS No:
6397-33-7
Formula:
C9H13NS
Chemical Name:
2-(isopropylthio)aniline
Synonyms:
UKRORGSYN-BB BBV-072741;2-(isopropylthio)aniline;2-(isopropylthio)benzenamine;2-(propan-2-ylsulfanyl)aniline;2-(isopropylthio)aniline(SALTDATA: HCl)
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

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2-(isopropylthio)aniline Basic Attributes

Molecular Weight：

167.27

Exact Mass：

167.076874

DSSTox ID：

DTXSID70551231

HScode：

2930909090

Characteristics

PSA：

51.3

XLogP3：

2.6

Density：

1.1±0.1 g/cm3

Boiling Point：

261.275°C at 760 mmHg

Flash Point：

111.8±19.8 °C

Refractive Index：

1.578

Safety Information

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:167.27
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:167.07687059
Monoisotopic Mass:167.07687059
Topological Polar Surface Area:51.3
Heavy Atom Count:11
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes