U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C15H31NS2
Molecular Weight 289.543
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,6-TRIISOBUTYL-5,6-DIHYDRO-4H-1,3,5-DITHIAZINE, TRANS-

SMILES

CC(C)C[C@@H]1N[C@@H](CC(C)C)S[C@@H](CC(C)C)S1

InChI

InChIKey=RQGPQWUKHADVPF-ZIAGYGMSSA-N
InChI=1S/C15H31NS2/c1-10(2)7-13-16-14(8-11(3)4)18-15(17-13)9-12(5)6/h10-16H,7-9H2,1-6H3/t13-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H31NS2
Molecular Weight 289.543
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:42:49 GMT 2025
Edited
by admin
on Mon Mar 31 20:42:49 GMT 2025
Record UNII
Z24510S94G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4,6-TRIISOBUTYL-5,6-DIHYDRO-4H-1,3,5-DITHIAZINE, TRANS-
Common Name English
FEMA NO. 4017, TRANS-
Preferred Name English
(±)-2,4,6-TRIISOBUTYL-5,6-DIHYDRO-4H-1,3,5-DITHIAZINE, TRANS-
Common Name English
2,4,6-TRIISOBUTYL-5,6-DIHYDRO-4H-1,3,5-DITHIAZINE, TRANS-(+/)-
Common Name English
Code System Code Type Description
FDA UNII
Z24510S94G
Created by admin on Mon Mar 31 20:42:49 GMT 2025 , Edited by admin on Mon Mar 31 20:42:49 GMT 2025
PRIMARY
PUBCHEM
76967702
Created by admin on Mon Mar 31 20:42:49 GMT 2025 , Edited by admin on Mon Mar 31 20:42:49 GMT 2025
PRIMARY