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Details

Stereochemistry RACEMIC
Molecular Formula C6H14S
Molecular Weight 118.24
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HEXANETHIOL

SMILES

CCCC(S)CC

InChI

InChIKey=VOIGMFQJDZTEKW-UHFFFAOYSA-N
InChI=1S/C6H14S/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C6H14S
Molecular Weight 118.24
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:41:44 GMT 2023
Edited
by admin
on Sat Dec 16 14:41:44 GMT 2023
Record UNII
6YD4K9T3DN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HEXANETHIOL
Systematic Name English
3-MERCAPTOHEXANE
Systematic Name English
FEMA NO. 4782, 3-
Code English
(±)-3-HEXANETHIOL
Systematic Name English
Code System Code Type Description
PUBCHEM
102661
Created by admin on Sat Dec 16 14:41:44 GMT 2023 , Edited by admin on Sat Dec 16 14:41:44 GMT 2023
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FDA UNII
6YD4K9T3DN
Created by admin on Sat Dec 16 14:41:44 GMT 2023 , Edited by admin on Sat Dec 16 14:41:44 GMT 2023
PRIMARY
CAS
1633-90-5
Created by admin on Sat Dec 16 14:41:44 GMT 2023 , Edited by admin on Sat Dec 16 14:41:44 GMT 2023
PRIMARY
ECHA (EC/EINECS)
216-650-5
Created by admin on Sat Dec 16 14:41:44 GMT 2023 , Edited by admin on Sat Dec 16 14:41:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID80936813
Created by admin on Sat Dec 16 14:41:44 GMT 2023 , Edited by admin on Sat Dec 16 14:41:44 GMT 2023
PRIMARY