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Details

Stereochemistry ACHIRAL
Molecular Formula C8H8ClNO2S
Molecular Weight 217.673
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-[(2-Chloroethyl)sulfanyl]-4-nitrobenzene

SMILES

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

InChI

InChIKey=XSHHJXAFSBWTJU-UHFFFAOYSA-N
InChI=1S/C8H8ClNO2S/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2

HIDE SMILES / InChI

Molecular Formula C8H8ClNO2S
Molecular Weight 217.673
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 17:41:25 GMT 2025
Edited
by admin
on Tue Apr 01 17:41:25 GMT 2025
Record UNII
37V6P7V4DJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-[(2-Chloroethyl)sulfanyl]-4-nitrobenzene
Systematic Name English
BENZENE, 1-((2-CHLOROETHYL)THIO)-4-NITRO-
Preferred Name English
1-[(2-Chloroethyl)thio]-4-nitrobenzene
Systematic Name English
2-Chloroethyl p-nitrophenyl sulfide
Systematic Name English
NSC-202602
Code English
(2-Chloroethyl)(4-nitrophenyl)sulfane
Systematic Name English
Sulfide, 2-chloroethyl p-nitrophenyl
Systematic Name English
2-Chloroethyl 4-nitrophenyl sulfide
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90203907
Created by admin on Tue Apr 01 17:41:25 GMT 2025 , Edited by admin on Tue Apr 01 17:41:25 GMT 2025
PRIMARY
PUBCHEM
79666
Created by admin on Tue Apr 01 17:41:25 GMT 2025 , Edited by admin on Tue Apr 01 17:41:25 GMT 2025
PRIMARY
FDA UNII
37V6P7V4DJ
Created by admin on Tue Apr 01 17:41:25 GMT 2025 , Edited by admin on Tue Apr 01 17:41:25 GMT 2025
PRIMARY
NSC
202602
Created by admin on Tue Apr 01 17:41:25 GMT 2025 , Edited by admin on Tue Apr 01 17:41:25 GMT 2025
PRIMARY
ECHA (EC/EINECS)
226-892-3
Created by admin on Tue Apr 01 17:41:25 GMT 2025 , Edited by admin on Tue Apr 01 17:41:25 GMT 2025
PRIMARY
CAS
5535-73-9
Created by admin on Tue Apr 01 17:41:25 GMT 2025 , Edited by admin on Tue Apr 01 17:41:25 GMT 2025
PRIMARY