1,3-bis(phenylsulfanyl)propan-2-ol

C15H16OS2 — CID 12671306

IUPAC1,3-bis(phenylsulfanyl)propan-2-ol
SMILESOC(CSc1ccccc1)CSc1ccccc1
InChIInChI=1S/C15H16OS2/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15/h1-10,13,16H,11-12H2
InChIKeyUTEZTCVRMVTVSA-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.93
Rot. Bonds6

About 1,3-bis(phenylsulfanyl)propan-2-ol

1,3-bis(phenylsulfanyl)propan-2-ol (PubChem CID 12671306) has the molecular formula C15H16OS2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1,3-bis(phenylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(phenylsulfanyl)propan-2-ol
PubChem CID12671306
Molecular FormulaC15H16OS2
Molecular Weight276.43 g/mol
Exact Mass276.06
IUPAC Name1,3-bis(phenylsulfanyl)propan-2-ol
SMILESOC(CSc1ccccc1)CSc1ccccc1
InChIInChI=1S/C15H16OS2/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15/h1-10,13,16H,11-12H2
InChIKeyUTEZTCVRMVTVSA-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Phenylthio)ethanol
CID 69685
1-(Phenylthio)-2-propanol
CID 99788
3-(Phenylthio)-1,2-propanediol
CID 21231
2-((Phenylsulfanyl)methyl)oxirane
CID 11094998
4-(2-Hydroxy-3-phenylsulfanylpropyl)selanylbenzenesulfonamide
CID 164617241
3-(Phenylsulfanyl)propan-1-ol
CID 5155841
1,3-Bis(phenylsulfanyl)propan-2-one
CID 2320201
2-(4-Fluoro-phenylsulfanyl)-ethanol
CID 2759148
4-Phenylsulfanylbutylsulfanylbenzene
CID 220179
2-(Phenylsulfanyl)cyclohexanol
CID 278135
1,4-Bis(phenylthio)-2-butene
CID 5373859
2-Propanol, 1-(phenylsulfonyl)-, (S)-
CID 11127286

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(phenylsulfanyl)propan-2-ol?
The IUPAC name of 1,3-bis(phenylsulfanyl)propan-2-ol (CID 12671306) is 1,3-bis(phenylsulfanyl)propan-2-ol.
What is the SMILES notation for 1,3-bis(phenylsulfanyl)propan-2-ol?
The canonical SMILES for 1,3-bis(phenylsulfanyl)propan-2-ol is OC(CSc1ccccc1)CSc1ccccc1.
What is the InChIKey of 1,3-bis(phenylsulfanyl)propan-2-ol?
The InChIKey is UTEZTCVRMVTVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS2/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15/h1-10,13,16H,11-12H2.
What are the key properties of 1,3-bis(phenylsulfanyl)propan-2-ol?
1,3-bis(phenylsulfanyl)propan-2-ol has a molecular weight of 276.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(phenylsulfanyl)propan-2-ol is sourced from PubChem (CID 12671306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).