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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H6Cl5NO2S
Molecular Weight 333.447
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of S-(1,2,3,3,3-PENTACHLORO-1-PROPENYL)-L-CYSTEINE

SMILES

N[C@@H](CSC(Cl)=C(Cl)C(Cl)(Cl)Cl)C(O)=O

InChI

InChIKey=VCKWTCAFPNXZRZ-TWXZUWJZSA-N
InChI=1S/C6H6Cl5NO2S/c7-3(6(9,10)11)4(8)15-1-2(12)5(13)14/h2H,1,12H2,(H,13,14)/b4-3-/t2-/m0/s1

HIDE SMILES / InChI

Molecular Formula C6H6Cl5NO2S
Molecular Weight 333.447
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:58:35 GMT 2023
Edited
by admin
on Sat Dec 16 07:58:35 GMT 2023
Record UNII
0BHP1151D2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
S-(1,2,3,3,3-PENTACHLORO-1-PROPENYL)-L-CYSTEINE
Systematic Name English
L-ALANINE, 3-((1,2,3,3,3-PENTACHLORO-1-PROPENYL)THIO)-
Systematic Name English
L-CYSTEINE, S-(1,2,3,3,3-PENTACHLORO-1-PROPEN-1-YL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
146554
Created by admin on Sat Dec 16 07:58:35 GMT 2023 , Edited by admin on Sat Dec 16 07:58:35 GMT 2023
PRIMARY
CAS
115453-72-0
Created by admin on Sat Dec 16 07:58:35 GMT 2023 , Edited by admin on Sat Dec 16 07:58:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID901031362
Created by admin on Sat Dec 16 07:58:35 GMT 2023 , Edited by admin on Sat Dec 16 07:58:35 GMT 2023
PRIMARY
FDA UNII
0BHP1151D2
Created by admin on Sat Dec 16 07:58:35 GMT 2023 , Edited by admin on Sat Dec 16 07:58:35 GMT 2023
PRIMARY