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Details

Stereochemistry ACHIRAL
Molecular Formula C8H14ClN3O6S2
Molecular Weight 347.796
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(2-CHLOROETHYL)-N'-(2-METHYL-1,3-DITHIAN-5-YL)-N-NITROSOUREA S,S,S',S'-TETRAOXIDE, TRANS-

SMILES

C[C@H]1S(=O)(=O)C[C@@H](CS1(=O)=O)NC(=O)N(CCCl)N=O

InChI

InChIKey=YXUZPTFACYZZBL-LJGSYFOKSA-N
InChI=1S/C8H14ClN3O6S2/c1-6-19(15,16)4-7(5-20(6,17)18)10-8(13)12(11-14)3-2-9/h6-7H,2-5H2,1H3,(H,10,13)/t6-,7-

HIDE SMILES / InChI

Molecular Formula C8H14ClN3O6S2
Molecular Weight 347.796
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:40:18 GMT 2023
Edited
by admin
on Sat Dec 16 12:40:18 GMT 2023
Record UNII
MF9J292THG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(2-CHLOROETHYL)-N'-(2-METHYL-1,3-DITHIAN-5-YL)-N-NITROSOUREA S,S,S',S'-TETRAOXIDE, TRANS-
Systematic Name English
UREA, N-(2-CHLOROETHYL)-N'-(2-METHYL-1,3-DITHIAN-5-YL)-N-NITROSO-, S,S,S',S'-TETRAOXIDE, TRANS-
Systematic Name English
NSC-207115
Code English
Code System Code Type Description
CAS
60285-33-8
Created by admin on Sat Dec 16 12:40:18 GMT 2023 , Edited by admin on Sat Dec 16 12:40:18 GMT 2023
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PUBCHEM
99768
Created by admin on Sat Dec 16 12:40:18 GMT 2023 , Edited by admin on Sat Dec 16 12:40:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID80209034
Created by admin on Sat Dec 16 12:40:18 GMT 2023 , Edited by admin on Sat Dec 16 12:40:18 GMT 2023
PRIMARY
FDA UNII
MF9J292THG
Created by admin on Sat Dec 16 12:40:18 GMT 2023 , Edited by admin on Sat Dec 16 12:40:18 GMT 2023
PRIMARY
NSC
207115
Created by admin on Sat Dec 16 12:40:18 GMT 2023 , Edited by admin on Sat Dec 16 12:40:18 GMT 2023
PRIMARY