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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H5N4S.Na
Molecular Weight 200.196
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 1-PHENYLTETRAZOLE-5-THIOLATE

SMILES

[Na+].[S-]C1=NN=NN1C2=CC=CC=C2

InChI

InChIKey=RSZMKAPXKXEWBY-UHFFFAOYSA-M
InChI=1S/C7H6N4S.Na/c12-7-8-9-10-11(7)6-4-2-1-3-5-6;/h1-5H,(H,8,10,12);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C7H6N4S
Molecular Weight 178.214
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 13:37:07 UTC 2019
Edited
by admin
on Tue Oct 22 13:37:07 UTC 2019
Record UNII
3632H9JX2M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 1-PHENYLTETRAZOLE-5-THIOLATE
Systematic Name English
1-PHENYL-2-TETRAZOLINE-5-THIONE SODIUM
Systematic Name English
5H-TETRAZOLE-5-THIONE, 1,2-DIHYDRO-1-PHENYL-, SODIUM SALT (1:1)
Systematic Name English
SODIUM 1-PHENYL-5-MERCAPTOTETRAZOLE
Systematic Name English
Code System Code Type Description
EPA CompTox
15052-19-4
Created by admin on Tue Oct 22 13:37:07 UTC 2019 , Edited by admin on Tue Oct 22 13:37:07 UTC 2019
PRIMARY
ECHA (EC/EINECS)
239-121-0
Created by admin on Tue Oct 22 13:37:07 UTC 2019 , Edited by admin on Tue Oct 22 13:37:07 UTC 2019
PRIMARY
CAS
15052-19-4
Created by admin on Tue Oct 22 13:37:07 UTC 2019 , Edited by admin on Tue Oct 22 13:37:07 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE