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Chemistry

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Also known as: Thiopalmitic acid, 7530-93-0, Tetradecylthio-acetic acid, Hexadecanethioic o-acid, Hexadecanethioic acid, Acetic acid,2-(tetradecylthio)-
Molecular Formula
C16H32OS
Molecular Weight
272.5  g/mol
InChI Key
KPUXJBYSYFEKKB-UHFFFAOYSA-N

CAS 7530-93-0
1 2D Structure

CAS 7530-93-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
hexadecanethioic S-acid
2.1.2 InChI
InChI=1S/C16H32OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
2.1.3 InChI Key
KPUXJBYSYFEKKB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCCCCCCCCCCCC(=O)S
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Thiopalmitic Acid

2.2.2 Depositor-Supplied Synonyms

1. Thiopalmitic Acid

2. 7530-93-0

3. Tetradecylthio-acetic Acid

4. Hexadecanethioic O-acid

5. Hexadecanethioic Acid

6. Acetic Acid,2-(tetradecylthio)-

7. Starbld0039949

8. Schembl207757

9. Dtxsid90332145

10. Zinc64539401

11. Akos015900333

12. Db-047543

13. Ft-0675187

2.3 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 272.5 g/mol
Molecular Formula C16H32OS
XLogP36.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Exact Mass272.21738681 g/mol
Monoisotopic Mass272.21738681 g/mol
Topological Polar Surface Area18.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity180
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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