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Details

Stereochemistry MIXED
Molecular Formula C10H18S
Molecular Weight 170.315
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-MERCAPTOPINANE

SMILES

CC1C2CC(CC1S)C2(C)C

InChI

InChIKey=BLTKIZZDFQAPPT-UHFFFAOYSA-N
InChI=1S/C10H18S/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C10H18S
Molecular Weight 170.315
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:42:57 GMT 2023
Edited
by admin
on Fri Dec 15 19:42:57 GMT 2023
Record UNII
QK04RE823W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-MERCAPTOPINANE
Systematic Name English
3-PINANETHIOL
Systematic Name English
3-MERCAPTOPINANE, (±)-
Systematic Name English
FEMA NO. 3503, 3-MERCAPTO-
Code English
2,6,6-TRIMETHYLBICYCLO(3.1.1)HEPTANE-3-THIOL
Systematic Name English
BICYCLO(3.1.1)HEPTANE-3-THIOL, 2,6,6-TRIMETHYL-
Systematic Name English
(±)-3-MERCAPTOPINANE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20868129
Created by admin on Fri Dec 15 19:42:57 GMT 2023 , Edited by admin on Fri Dec 15 19:42:57 GMT 2023
PRIMARY
CAS
72361-41-2
Created by admin on Fri Dec 15 19:42:57 GMT 2023 , Edited by admin on Fri Dec 15 19:42:57 GMT 2023
PRIMARY
FDA UNII
QK04RE823W
Created by admin on Fri Dec 15 19:42:57 GMT 2023 , Edited by admin on Fri Dec 15 19:42:57 GMT 2023
PRIMARY
ECHA (EC/EINECS)
276-598-4
Created by admin on Fri Dec 15 19:42:57 GMT 2023 , Edited by admin on Fri Dec 15 19:42:57 GMT 2023
PRIMARY
PUBCHEM
175039
Created by admin on Fri Dec 15 19:42:57 GMT 2023 , Edited by admin on Fri Dec 15 19:42:57 GMT 2023
PRIMARY