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Details

Stereochemistry RACEMIC
Molecular Formula C8H16OS
Molecular Weight 160.277
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYL-4-PROPYL-1,3-OXATHIANE, CIS-

SMILES

CCC[C@@H]1CCO[C@H](C)S1

InChI

InChIKey=GKGOLPMYJJXRGD-JGVFFNPUSA-N
InChI=1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H16OS
Molecular Weight 160.277
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 Fri Dec 15 17:56:44 GMT 2023
Edited
by admin
on Fri Dec 15 17:56:44 GMT 2023
Record UNII
K3U570395A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYL-4-PROPYL-1,3-OXATHIANE, CIS-
Systematic Name English
(±)-CIS-2-METHYL-4-PROPYL-1,3-OXATHIANE
Systematic Name English
CIS-2-METHYL-4-PROPYL-1,3-OXATHIANE
Systematic Name English
FEMA NO. 3578, CIS-
Code English
(Z)-GALBANUM OXATHIANE
Common Name English
1,3-OXATHIANE, 2-METHYL-4-PROPYL-, (2R,4S)-REL-
Common Name English
2-METHYL-4-PROPYL-CIS-1,3-OXATHIANE
Systematic Name English
CIS-2-METHYL-4-PROPYL-1,3-OXATHIANE, (±)-
Systematic Name English
1,3-OXATHIANE, 2-METHYL-4-PROPYL-, CIS-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID9052260
Created by admin on Fri Dec 15 17:56:44 GMT 2023 , Edited by admin on Fri Dec 15 17:56:44 GMT 2023
PRIMARY
FDA UNII
K3U570395A
Created by admin on Fri Dec 15 17:56:44 GMT 2023 , Edited by admin on Fri Dec 15 17:56:44 GMT 2023
PRIMARY
ECHA (EC/EINECS)
261-699-8
Created by admin on Fri Dec 15 17:56:44 GMT 2023 , Edited by admin on Fri Dec 15 17:56:44 GMT 2023
PRIMARY
MESH
C535017
Created by admin on Fri Dec 15 17:56:44 GMT 2023 , Edited by admin on Fri Dec 15 17:56:44 GMT 2023
PRIMARY
PUBCHEM
6931728
Created by admin on Fri Dec 15 17:56:44 GMT 2023 , Edited by admin on Fri Dec 15 17:56:44 GMT 2023
PRIMARY
CAS
59323-76-1
Created by admin on Fri Dec 15 17:56:44 GMT 2023 , Edited by admin on Fri Dec 15 17:56:44 GMT 2023
PRIMARY