1-sulfanylheptan-1-ol

C7H16OS — CID 10441848

IUPAC1-sulfanylheptan-1-ol
SMILESCCCCCCC(O)S
InChIInChI=1S/C7H16OS/c1-2-3-4-5-6-7(8)9/h7-9H,2-6H2,1H3
InChIKeyXBCDECDLTNTPSZ-UHFFFAOYSA-N
MW148.27 g/mol
LogP2.20
Rot. Bonds5

About 1-sulfanylheptan-1-ol

1-sulfanylheptan-1-ol (PubChem CID 10441848) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 1-sulfanylheptan-1-ol.

Molecular Properties

Compound Name1-sulfanylheptan-1-ol
PubChem CID10441848
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name1-sulfanylheptan-1-ol
SMILESCCCCCCC(O)S
InChIInChI=1S/C7H16OS/c1-2-3-4-5-6-7(8)9/h7-9H,2-6H2,1H3
InChIKeyXBCDECDLTNTPSZ-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 52.20
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-sulfanyloctan-1-ol
CID 21400591
phosphorous acid;tris(1-sulfanyldecan-1-ol)
CID 173449589
icosan-9-ol
CID 11983377
nonacosane-14,15-diol
CID 91509633
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
docosane-10,11-dithiol
CID 123269259
icosan-6-ol
CID 19931277

Frequently Asked Questions

What is the IUPAC name of 1-sulfanylheptan-1-ol?
The IUPAC name of 1-sulfanylheptan-1-ol (CID 10441848) is 1-sulfanylheptan-1-ol.
What is the SMILES notation for 1-sulfanylheptan-1-ol?
The canonical SMILES for 1-sulfanylheptan-1-ol is CCCCCCC(O)S.
What is the InChIKey of 1-sulfanylheptan-1-ol?
The InChIKey is XBCDECDLTNTPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-2-3-4-5-6-7(8)9/h7-9H,2-6H2,1H3.
What are the key properties of 1-sulfanylheptan-1-ol?
1-sulfanylheptan-1-ol has a molecular weight of 148.27 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylheptan-1-ol is sourced from PubChem (CID 10441848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).