1-(Isopropylthio)-4-nitrobenzene

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H11NO2S
Molecular Weight	197.254
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(Isopropylthio)-4-nitrobenzene

Structure Search

SMILES

CC(C)SC1=CC=C(C=C1)[N+]([O-])=O

InChI

InChIKey=AZXGKMBWQRKTQP-UHFFFAOYSA-N

InChI=1S/C9H11NO2S/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C9H11NO2S
Molecular Weight	197.254
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:10:09 GMT 2025` Edited by `admin` on `Tue Apr 01 19:10:09 GMT 2025`
Record UNII	T8Q8RG4KJD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-(Isopropylthio)-4-nitrobenzene

Systematic Name

English

1-[(1-Methylethyl)thio]-4-nitrobenzene

Preferred Name

English

Benzene, 1-[(1-methylethyl)thio]-4-nitro-

Systematic Name

English

Code System Code Type Description

PUBCHEM

81621

Created by admin on Tue Apr 01 19:10:09 GMT 2025 , Edited by admin on Tue Apr 01 19:10:09 GMT 2025

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ECHA (EC/EINECS)

230-576-0

Created by admin on Tue Apr 01 19:10:09 GMT 2025 , Edited by admin on Tue Apr 01 19:10:09 GMT 2025

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CAS

7205-63-2

Created by admin on Tue Apr 01 19:10:09 GMT 2025 , Edited by admin on Tue Apr 01 19:10:09 GMT 2025

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FDA UNII

T8Q8RG4KJD

Created by admin on Tue Apr 01 19:10:09 GMT 2025 , Edited by admin on Tue Apr 01 19:10:09 GMT 2025

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EPA CompTox

DTXSID20222383

Created by admin on Tue Apr 01 19:10:09 GMT 2025 , Edited by admin on Tue Apr 01 19:10:09 GMT 2025

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