1-sulfanyldecan-2-ol

C10H22OS — CID 12963327

IUPAC1-sulfanyldecan-2-ol
SMILESCCCCCCCCC(O)CS
InChIInChI=1S/C10H22OS/c1-2-3-4-5-6-7-8-10(11)9-12/h10-12H,2-9H2,1H3
InChIKeyYXHLDPGSHVXBRB-UHFFFAOYSA-N
MW190.35 g/mol
LogP3.03
Rot. Bonds8

About 1-sulfanyldecan-2-ol

1-sulfanyldecan-2-ol (PubChem CID 12963327) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 1-sulfanyldecan-2-ol.

Molecular Properties

Compound Name1-sulfanyldecan-2-ol
PubChem CID12963327
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name1-sulfanyldecan-2-ol
SMILESCCCCCCCCC(O)CS
InChIInChI=1S/C10H22OS/c1-2-3-4-5-6-7-8-10(11)9-12/h10-12H,2-9H2,1H3
InChIKeyYXHLDPGSHVXBRB-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-sulfanyldecan-2-ol?
The IUPAC name of 1-sulfanyldecan-2-ol (CID 12963327) is 1-sulfanyldecan-2-ol.
What is the SMILES notation for 1-sulfanyldecan-2-ol?
The canonical SMILES for 1-sulfanyldecan-2-ol is CCCCCCCCC(O)CS.
What is the InChIKey of 1-sulfanyldecan-2-ol?
The InChIKey is YXHLDPGSHVXBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-2-3-4-5-6-7-8-10(11)9-12/h10-12H,2-9H2,1H3.
What are the key properties of 1-sulfanyldecan-2-ol?
1-sulfanyldecan-2-ol has a molecular weight of 190.35 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanyldecan-2-ol is sourced from PubChem (CID 12963327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).