6-benzylsulfanylhexan-1-ol

C13H20OS — CID 11858461

IUPAC6-benzylsulfanylhexan-1-ol
SMILESOCCCCCCSCc1ccccc1
InChIInChI=1S/C13H20OS/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h3-5,8-9,14H,1-2,6-7,10-12H2
InChIKeyLFNDYUABLKNCGR-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.47
Rot. Bonds8

About 6-benzylsulfanylhexan-1-ol

6-benzylsulfanylhexan-1-ol (PubChem CID 11858461) has the molecular formula C13H20OS and a molecular weight of 224.37 g/mol. Its IUPAC name is 6-benzylsulfanylhexan-1-ol.

Molecular Properties

Compound Name6-benzylsulfanylhexan-1-ol
PubChem CID11858461
Molecular FormulaC13H20OS
Molecular Weight224.37 g/mol
Exact Mass224.12
IUPAC Name6-benzylsulfanylhexan-1-ol
SMILESOCCCCCCSCc1ccccc1
InChIInChI=1S/C13H20OS/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h3-5,8-9,14H,1-2,6-7,10-12H2
InChIKeyLFNDYUABLKNCGR-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfanylhexan-1-ol?
The IUPAC name of 6-benzylsulfanylhexan-1-ol (CID 11858461) is 6-benzylsulfanylhexan-1-ol.
What is the SMILES notation for 6-benzylsulfanylhexan-1-ol?
The canonical SMILES for 6-benzylsulfanylhexan-1-ol is OCCCCCCSCc1ccccc1.
What is the InChIKey of 6-benzylsulfanylhexan-1-ol?
The InChIKey is LFNDYUABLKNCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OS/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h3-5,8-9,14H,1-2,6-7,10-12H2.
What are the key properties of 6-benzylsulfanylhexan-1-ol?
6-benzylsulfanylhexan-1-ol has a molecular weight of 224.37 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfanylhexan-1-ol is sourced from PubChem (CID 11858461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).