1,5-bis(phenylsulfanyl)pentane-2,4-diol

C17H20O2S2 — CID 135066665

IUPAC1,5-bis(phenylsulfanyl)pentane-2,4-diol
SMILESOC(CSc1ccccc1)CC(O)CSc1ccccc1
InChIInChI=1S/C17H20O2S2/c18-14(12-20-16-7-3-1-4-8-16)11-15(19)13-21-17-9-5-2-6-10-17/h1-10,14-15,18-19H,11-13H2
InChIKeyRAQXMPHKVJSQKO-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.68
Rot. Bonds8

About 1,5-bis(phenylsulfanyl)pentane-2,4-diol

1,5-bis(phenylsulfanyl)pentane-2,4-diol (PubChem CID 135066665) has the molecular formula C17H20O2S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1,5-bis(phenylsulfanyl)pentane-2,4-diol.

Molecular Properties

Compound Name1,5-bis(phenylsulfanyl)pentane-2,4-diol
PubChem CID135066665
Molecular FormulaC17H20O2S2
Molecular Weight320.48 g/mol
Exact Mass320.09
IUPAC Name1,5-bis(phenylsulfanyl)pentane-2,4-diol
SMILESOC(CSc1ccccc1)CC(O)CSc1ccccc1
InChIInChI=1S/C17H20O2S2/c18-14(12-20-16-7-3-1-4-8-16)11-15(19)13-21-17-9-5-2-6-10-17/h1-10,14-15,18-19H,11-13H2
InChIKeyRAQXMPHKVJSQKO-UHFFFAOYSA-N
XLogP3.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Phenylthio)-2-propanol
CID 99788
3-(Phenylthio)-1,2-propanediol
CID 21231
((2-Hydroxy-3-(phenylsulfanyl)propyl)sulfanyl)benzene
CID 12671306
3-(Phenylsulfanyl)propan-1-ol
CID 5155841
2-(Phenylsulfanyl)cyclohexanol
CID 278135
cis-(1R,2S)-2-phenylsulfanylcyclopentan-1-ol
CID 90662595
5-Phenylsulfanylpentan-1-ol
CID 346015
2-Butanol, 1-(phenylthio)-
CID 580222
4-(Phenylsulfanyl)-2-butanol
CID 11019506
2-[2-(2-Hydroxyethylsulfanyl)phenyl]sulfanylethanol
CID 57637437
3-((2-((3-Hydroxypropyl)thio)phenyl)thio)-1-propanol
CID 373745
2-Phenylsulfanylcyclopentanol
CID 494482

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(phenylsulfanyl)pentane-2,4-diol?
The IUPAC name of 1,5-bis(phenylsulfanyl)pentane-2,4-diol (CID 135066665) is 1,5-bis(phenylsulfanyl)pentane-2,4-diol.
What is the SMILES notation for 1,5-bis(phenylsulfanyl)pentane-2,4-diol?
The canonical SMILES for 1,5-bis(phenylsulfanyl)pentane-2,4-diol is OC(CSc1ccccc1)CC(O)CSc1ccccc1.
What is the InChIKey of 1,5-bis(phenylsulfanyl)pentane-2,4-diol?
The InChIKey is RAQXMPHKVJSQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S2/c18-14(12-20-16-7-3-1-4-8-16)11-15(19)13-21-17-9-5-2-6-10-17/h1-10,14-15,18-19H,11-13H2.
What are the key properties of 1,5-bis(phenylsulfanyl)pentane-2,4-diol?
1,5-bis(phenylsulfanyl)pentane-2,4-diol has a molecular weight of 320.48 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(phenylsulfanyl)pentane-2,4-diol is sourced from PubChem (CID 135066665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).