U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H6OS2
Molecular Weight 194.273
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-PHENYL-1,2-DITHIOL-3-ONE

SMILES

O=C1SSC(=C1)C2=CC=CC=C2

InChI

InChIKey=ZCDDSVYFACNQAM-UHFFFAOYSA-N
InChI=1S/C9H6OS2/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H

HIDE SMILES / InChI

Molecular Formula C9H6OS2
Molecular Weight 194.273
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 19:39:24 GMT 2025
Edited
by admin
on Tue Apr 01 19:39:24 GMT 2025
Record UNII
IVT9U4E26Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-185352
Preferred Name English
5-PHENYL-1,2-DITHIOL-3-ONE
Systematic Name English
3-PHENYL-1,2-DITHIA-3-CYCLOPENTEN-5-ONE
Systematic Name English
5-PHENYL-3H-1,2-DITHIOL-3-ONE
Systematic Name English
3H-1,2-DITHIOL-3-ONE, 5-PHENYL-
Systematic Name English
NSC-33610
Code English
1,2-DITHIOL-3-ONE, 5-PHENYL-
Systematic Name English
Code System Code Type Description
NSC
185352
Created by admin on Tue Apr 01 19:39:24 GMT 2025 , Edited by admin on Tue Apr 01 19:39:24 GMT 2025
PRIMARY
PUBCHEM
70011
Created by admin on Tue Apr 01 19:39:24 GMT 2025 , Edited by admin on Tue Apr 01 19:39:24 GMT 2025
PRIMARY
CAS
827-42-9
Created by admin on Tue Apr 01 19:39:24 GMT 2025 , Edited by admin on Tue Apr 01 19:39:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID3061186
Created by admin on Tue Apr 01 19:39:24 GMT 2025 , Edited by admin on Tue Apr 01 19:39:24 GMT 2025
PRIMARY
NSC
33610
Created by admin on Tue Apr 01 19:39:24 GMT 2025 , Edited by admin on Tue Apr 01 19:39:24 GMT 2025
PRIMARY
FDA UNII
IVT9U4E26Z
Created by admin on Tue Apr 01 19:39:24 GMT 2025 , Edited by admin on Tue Apr 01 19:39:24 GMT 2025
PRIMARY