Molecular Identity
1-Eicosanethiol
icosane-1-thiol
PubChem CID: 139443
2D Structure
Properties
C20H42S
Molecular Formula
314.60
Molecular Weight
g/mol
314.3007
Exact Mass
Da
10.4
XLogP
Above Lipinski threshold
1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
1
H-Bond Acceptors
167
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCCCCCCCCCCCCCSIsomeric SMILES
SMILES: CCCCCCCCCCCCCCCCCCCCSSynonyms(20)
1-Eicosanethiol13373-97-2DTXSID70158345RefChem:75661DTXCID4080836603-761-2icosane-1-thiolEicosyl MercaptanIcosyl MercaptanMFCD07779406ECTE0832eicosanethiolEicosane thiolEicosylmercaptane
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 1-Eicosanethiol
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