1-sulfanyloctan-1-ol

C8H18OS — CID 21400591

IUPAC1-sulfanyloctan-1-ol
SMILESCCCCCCCC(O)S
InChIInChI=1S/C8H18OS/c1-2-3-4-5-6-7-8(9)10/h8-10H,2-7H2,1H3
InChIKeyILWVAHWMSULXIG-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.60
Rot. Bonds6

About 1-sulfanyloctan-1-ol

1-sulfanyloctan-1-ol (PubChem CID 21400591) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 1-sulfanyloctan-1-ol.

Molecular Properties

Compound Name1-sulfanyloctan-1-ol
PubChem CID21400591
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name1-sulfanyloctan-1-ol
SMILESCCCCCCCC(O)S
InChIInChI=1S/C8H18OS/c1-2-3-4-5-6-7-8(9)10/h8-10H,2-7H2,1H3
InChIKeyILWVAHWMSULXIG-UHFFFAOYSA-N
XLogP2.60
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-sulfanylheptan-1-ol
CID 10441848
phosphorous acid;tris(1-sulfanyldecan-1-ol)
CID 173449589
icosan-9-ol
CID 11983377
(9S,10S)-octadecane-9,10-dithiol
CID 98118372
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
(7R)-hexatriacontan-7-ol
CID 88529159
dodecane-6-thiol
CID 18757094
nonacosane-7,20-diol
CID 174949468
tetracosan-6-ol
CID 154265400
decane;dodecane-1,1-diol
CID 162011285
nonacosane-14,15-diol
CID 91509633
nonacosane-1,1-diol
CID 23066924

Frequently Asked Questions

What is the IUPAC name of 1-sulfanyloctan-1-ol?
The IUPAC name of 1-sulfanyloctan-1-ol (CID 21400591) is 1-sulfanyloctan-1-ol.
What is the SMILES notation for 1-sulfanyloctan-1-ol?
The canonical SMILES for 1-sulfanyloctan-1-ol is CCCCCCCC(O)S.
What is the InChIKey of 1-sulfanyloctan-1-ol?
The InChIKey is ILWVAHWMSULXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-2-3-4-5-6-7-8(9)10/h8-10H,2-7H2,1H3.
What are the key properties of 1-sulfanyloctan-1-ol?
1-sulfanyloctan-1-ol has a molecular weight of 162.30 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanyloctan-1-ol is sourced from PubChem (CID 21400591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).