5-Mercapto-1-pentanol

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Basic information

CAS: 1633-79-0
Standard SMILES: OCCCCCS
InChIKey: OKUJJVAASUSBCG-UHFFFAOYSA-N
Molecular formula: C5H12OS
Average molar mass: 120.22 g/mol
Monoisotopic mass: 120.06088618

Names & identifiers

Preferred name: 5-Mercapto-1-pentanol
IUPAC: 5-sulfanylpentan-1-ol

Names & synonyms

1633-79-05-mercapto-1-pentanolRefChem:10730511-Pentanol, 5-mercapto-5-sulfanylpentan-1-ol5-mercaptopentanol5-Mercaptopentan-1-ol5-hydroxy-1-pentanethiol5-Sulfanyl-1-pentanol #SCHEMBL37115SCHEMBL1170573SCHEMBL2050089

Show more names

DTXSID70336520AT41817EN300-251068

Database identifiers

CAS: 1633-79-0
PubChem CID: 534259
DTXSID: DTXSID70336520

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 21.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 7
Formal charge: 0
Complexity: 31.3

Related reactions

3 records

New reaction record

HRID 358375As reactantuspto-grants-1984_08

HRID 726111As reactantuspto-grants-1998_01

HRID 1006764As reactantuspto-grants-2004_09

Compound notes

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