5,5-bis(phenylsulfanyl)pentan-1-ol

C17H20OS2 — CID 10881270

IUPAC5,5-bis(phenylsulfanyl)pentan-1-ol
SMILESOCCCCC(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C17H20OS2/c18-14-8-7-13-17(19-15-9-3-1-4-10-15)20-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2
InChIKeyUVSQMPXLPVFKKS-UHFFFAOYSA-N
MW304.48 g/mol
LogP5.06
Rot. Bonds8

About 5,5-bis(phenylsulfanyl)pentan-1-ol

5,5-bis(phenylsulfanyl)pentan-1-ol (PubChem CID 10881270) has the molecular formula C17H20OS2 and a molecular weight of 304.48 g/mol. Its IUPAC name is 5,5-bis(phenylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name5,5-bis(phenylsulfanyl)pentan-1-ol
PubChem CID10881270
Molecular FormulaC17H20OS2
Molecular Weight304.48 g/mol
Exact Mass304.10
IUPAC Name5,5-bis(phenylsulfanyl)pentan-1-ol
SMILESOCCCCC(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C17H20OS2/c18-14-8-7-13-17(19-15-9-3-1-4-10-15)20-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2
InChIKeyUVSQMPXLPVFKKS-UHFFFAOYSA-N
XLogP5.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Phenylthio)ethanol
CID 69685
((2-Hydroxy-3-(phenylsulfanyl)propyl)sulfanyl)benzene
CID 12671306
3-(Phenylsulfanyl)propan-1-ol
CID 5155841
4-Phenyl-4-(phenylsulfanyl)butan-1-ol
CID 283796
2-(Phenylsulfanyl)cyclohexanol
CID 278135
cis-(1R,2S)-2-phenylsulfanylcyclopentan-1-ol
CID 90662595
5-Phenylsulfanylpentan-1-ol
CID 346015
2-(Phenylsulfanyl)propan-1-ol
CID 15563453
3-((2-((3-Hydroxypropyl)thio)phenyl)thio)-1-propanol
CID 373745
2-Phenylsulfanylcyclopentanol
CID 494482
(s)-(+)-5-(Phenylthio)-2-pentanol
CID 10012926
(E)-4-phenylsulfanylbut-3-en-1-ol
CID 10821256

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(phenylsulfanyl)pentan-1-ol?
The IUPAC name of 5,5-bis(phenylsulfanyl)pentan-1-ol (CID 10881270) is 5,5-bis(phenylsulfanyl)pentan-1-ol.
What is the SMILES notation for 5,5-bis(phenylsulfanyl)pentan-1-ol?
The canonical SMILES for 5,5-bis(phenylsulfanyl)pentan-1-ol is OCCCCC(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of 5,5-bis(phenylsulfanyl)pentan-1-ol?
The InChIKey is UVSQMPXLPVFKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OS2/c18-14-8-7-13-17(19-15-9-3-1-4-10-15)20-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2.
What are the key properties of 5,5-bis(phenylsulfanyl)pentan-1-ol?
5,5-bis(phenylsulfanyl)pentan-1-ol has a molecular weight of 304.48 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(phenylsulfanyl)pentan-1-ol is sourced from PubChem (CID 10881270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).