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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H13NOS2
Molecular Weight 191.314
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ALYSSIN, (S)-

SMILES

C[S@+]([O-])CCCCCN=C=S

InChI

InChIKey=IUUQPVQTAUKPPB-NSHDSACASA-N
InChI=1S/C7H13NOS2/c1-11(9)6-4-2-3-5-8-7-10/h2-6H2,1H3/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H13NOS2
Molecular Weight 191.314
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 11:44:57 GMT 2023
Edited
by admin
on Sat Dec 16 11:44:57 GMT 2023
Record UNII
CXL9G98TPI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALYSSIN, (S)-
Common Name English
PENTANE, 1-ISOTHIOCYANATO-5-(METHYLSULFINYL)-, (S)-
Systematic Name English
ALYSSIN, (+)-
Common Name English
Code System Code Type Description
CAS
167963-04-4
Created by admin on Sat Dec 16 11:44:58 GMT 2023 , Edited by admin on Sat Dec 16 11:44:58 GMT 2023
PRIMARY
PUBCHEM
51548324
Created by admin on Sat Dec 16 11:44:58 GMT 2023 , Edited by admin on Sat Dec 16 11:44:58 GMT 2023
PRIMARY PUBCHEM
FDA UNII
CXL9G98TPI
Created by admin on Sat Dec 16 11:44:58 GMT 2023 , Edited by admin on Sat Dec 16 11:44:58 GMT 2023
PRIMARY
Related Record Type Details
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ENANTIOMER -> ENANTIOMER