U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

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 SULFIDE, 2-CHLOROETHYL O-NITROPHENYL

SMILES

[O-][N+](=O)C1=CC=CC=C1SCCCl

InChI

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

HIDE SMILES / InChI

Molecular Formula C8H8ClNO2S
Molecular Weight 217.673
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
WC7X4F3TKB
Record Status Validated (UNII)
Record Version