2H-Azepin-2-one, hexahydro-1-(phenylthio)-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H15NOS
Molecular Weight	221.319
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2H-Azepin-2-one, hexahydro-1-(phenylthio)-

Structure Search

SMILES

O=C1CCCCCN1SC2=CC=CC=C2

InChI

InChIKey=HVIHQLGJOGGHSI-UHFFFAOYSA-N

InChI=1S/C12H15NOS/c14-12-9-5-2-6-10-13(12)15-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2

HIDE SMILES / InChI

Molecular Formula	C12H15NOS
Molecular Weight	221.319
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 19:30:05 GMT 2025` Edited by `admin` on `Tue Apr 01 19:30:05 GMT 2025`
Record UNII	SES7EZ5RBP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2H-Azepin-2-one, hexahydro-1-(phenylthio)-

Systematic Name

English

N-(Phenylthio)caprolactam

Preferred Name

English

Hexahydro-1-(phenylthio)-2H-azepin-2-one

Systematic Name

English

Code System Code Type Description

PUBCHEM

118982

Created by admin on Tue Apr 01 19:30:05 GMT 2025 , Edited by admin on Tue Apr 01 19:30:05 GMT 2025

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CAS

36452-23-0

Created by admin on Tue Apr 01 19:30:05 GMT 2025 , Edited by admin on Tue Apr 01 19:30:05 GMT 2025

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ECHA (EC/EINECS)

253-045-5

Created by admin on Tue Apr 01 19:30:05 GMT 2025 , Edited by admin on Tue Apr 01 19:30:05 GMT 2025

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FDA UNII

SES7EZ5RBP

Created by admin on Tue Apr 01 19:30:05 GMT 2025 , Edited by admin on Tue Apr 01 19:30:05 GMT 2025

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EPA CompTox

DTXSID4067981

Created by admin on Tue Apr 01 19:30:05 GMT 2025 , Edited by admin on Tue Apr 01 19:30:05 GMT 2025

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