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Details

Stereochemistry ACHIRAL
Molecular Formula C7H12ClN3O6S2
Molecular Weight 333.77
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-CHLOROETHYL)-1-NITROSO-3-(M-DITHIAN-5-YL)UREA S,S,S',S'-TETRAOXIDE

SMILES

ClCCN(N=O)C(=O)NC1CS(=O)(=O)CS(=O)(=O)C1

InChI

InChIKey=FHYICTHJPUZKCU-UHFFFAOYSA-N
InChI=1S/C7H12ClN3O6S2/c8-1-2-11(10-13)7(12)9-6-3-18(14,15)5-19(16,17)4-6/h6H,1-5H2,(H,9,12)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
NSC-136902
Preferred Name English
1-(2-CHLOROETHYL)-1-NITROSO-3-(M-DITHIAN-5-YL)UREA S,S,S',S'-TETRAOXIDE
Systematic Name English
UREA, N-(2-CHLOROETHYL)-N'-1,3-DITHIAN-5-YL-N-NITROSO-, S,S,S',S'-TETRAOXIDE
Systematic Name English
UREA, 1-(2-CHLOROETHYL)-3-(M-DITHIAN-5-YL)-1-NITROSO-, S,S,S',S'-TETRAOXIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60186677
Created by admin on Tue Apr 01 20:29:38 GMT 2025 , Edited by admin on Tue Apr 01 20:29:38 GMT 2025
PRIMARY
NSC
136902
Created by admin on Tue Apr 01 20:29:38 GMT 2025 , Edited by admin on Tue Apr 01 20:29:38 GMT 2025
PRIMARY
CAS
33022-05-8
Created by admin on Tue Apr 01 20:29:38 GMT 2025 , Edited by admin on Tue Apr 01 20:29:38 GMT 2025
PRIMARY
PUBCHEM
97614
Created by admin on Tue Apr 01 20:29:38 GMT 2025 , Edited by admin on Tue Apr 01 20:29:38 GMT 2025
PRIMARY
FDA UNII
UYP6Q5RGD2
Created by admin on Tue Apr 01 20:29:38 GMT 2025 , Edited by admin on Tue Apr 01 20:29:38 GMT 2025
PRIMARY
NIH
NCATS
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