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Details

Stereochemistry ACHIRAL
Molecular Formula C12H13N3OS2
Molecular Weight 279.381
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-ALLYL-N'-(1-METHYL-1-OXIDO-3H-1,2-BENZISOTHIAZOL-3-YLIDENE)THIOUREA

SMILES

CS1(=O)=N\C(=N/C(=S)NCC=C)C2=CC=CC=C12

InChI

InChIKey=OQWPFXGJDASRLW-KAMYIIQDSA-N
InChI=1S/C12H13N3OS2/c1-3-8-13-12(17)14-11-9-6-4-5-7-10(9)18(2,16)15-11/h3-7H,1,8H2,2H3,(H,13,17)/b14-11-

HIDE SMILES / InChI

Molecular Formula C12H13N3OS2
Molecular Weight 279.381
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:47:52 GMT 2025
Edited
by admin
on Tue Apr 01 19:47:52 GMT 2025
Record UNII
XT56T7NH7C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-297615
Preferred Name English
N-ALLYL-N'-(1-METHYL-1-OXIDO-3H-1,2-BENZISOTHIAZOL-3-YLIDENE)THIOUREA
Systematic Name English
Code System Code Type Description
NSC
297615
Created by admin on Tue Apr 01 19:47:52 GMT 2025 , Edited by admin on Tue Apr 01 19:47:52 GMT 2025
PRIMARY
PUBCHEM
5910128
Created by admin on Tue Apr 01 19:47:52 GMT 2025 , Edited by admin on Tue Apr 01 19:47:52 GMT 2025
PRIMARY
FDA UNII
XT56T7NH7C
Created by admin on Tue Apr 01 19:47:52 GMT 2025 , Edited by admin on Tue Apr 01 19:47:52 GMT 2025
PRIMARY
CAS
58099-02-8
Created by admin on Tue Apr 01 19:47:52 GMT 2025 , Edited by admin on Tue Apr 01 19:47:52 GMT 2025
PRIMARY