1-phenyl-2-sulfanyldecan-1-one

C16H24OS — CID 86186359

IUPAC1-phenyl-2-sulfanyldecan-1-one
SMILESCCCCCCCCC(S)C(=O)c1ccccc1
InChIInChI=1S/C16H24OS/c1-2-3-4-5-6-10-13-15(18)16(17)14-11-8-7-9-12-14/h7-9,11-12,15,18H,2-6,10,13H2,1H3
InChIKeyATRKPSRFIVXSNI-UHFFFAOYSA-N
MW264.43 g/mol
LogP4.92
Rot. Bonds9

About 1-phenyl-2-sulfanyldecan-1-one

1-phenyl-2-sulfanyldecan-1-one (PubChem CID 86186359) has the molecular formula C16H24OS and a molecular weight of 264.43 g/mol. Its IUPAC name is 1-phenyl-2-sulfanyldecan-1-one.

Molecular Properties

Compound Name1-phenyl-2-sulfanyldecan-1-one
PubChem CID86186359
Molecular FormulaC16H24OS
Molecular Weight264.43 g/mol
Exact Mass264.15
IUPAC Name1-phenyl-2-sulfanyldecan-1-one
SMILESCCCCCCCCC(S)C(=O)c1ccccc1
InChIInChI=1S/C16H24OS/c1-2-3-4-5-6-10-13-15(18)16(17)14-11-8-7-9-12-14/h7-9,11-12,15,18H,2-6,10,13H2,1H3
InChIKeyATRKPSRFIVXSNI-UHFFFAOYSA-N
XLogP4.92
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 54.92
H-Bond Donors ≤ 51
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-phenyl-2-sulfanyldecan-1-one?
The IUPAC name of 1-phenyl-2-sulfanyldecan-1-one (CID 86186359) is 1-phenyl-2-sulfanyldecan-1-one.
What is the SMILES notation for 1-phenyl-2-sulfanyldecan-1-one?
The canonical SMILES for 1-phenyl-2-sulfanyldecan-1-one is CCCCCCCCC(S)C(=O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-sulfanyldecan-1-one?
The InChIKey is ATRKPSRFIVXSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OS/c1-2-3-4-5-6-10-13-15(18)16(17)14-11-8-7-9-12-14/h7-9,11-12,15,18H,2-6,10,13H2,1H3.
What are the key properties of 1-phenyl-2-sulfanyldecan-1-one?
1-phenyl-2-sulfanyldecan-1-one has a molecular weight of 264.43 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-sulfanyldecan-1-one is sourced from PubChem (CID 86186359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).