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

C15H16OS2 — CID 87775610

IUPAC1,1-bis(phenylsulfanyl)propan-2-ol
SMILESCC(O)C(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H16OS2/c1-12(16)15(17-13-8-4-2-5-9-13)18-14-10-6-3-7-11-14/h2-12,15-16H,1H3
InChIKeyXODQPIQVVMFWHH-UHFFFAOYSA-N
MW276.43 g/mol
LogP4.28
Rot. Bonds5

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

1,1-bis(phenylsulfanyl)propan-2-ol (PubChem CID 87775610) has the molecular formula C15H16OS2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1,1-bis(phenylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1,1-bis(phenylsulfanyl)propan-2-ol
PubChem CID87775610
Molecular FormulaC15H16OS2
Molecular Weight276.43 g/mol
Exact Mass276.06
IUPAC Name1,1-bis(phenylsulfanyl)propan-2-ol
SMILESCC(O)C(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H16OS2/c1-12(16)15(17-13-8-4-2-5-9-13)18-14-10-6-3-7-11-14/h2-12,15-16H,1H3
InChIKeyXODQPIQVVMFWHH-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(phenylsulfanyl)propan-2-ol?
The IUPAC name of 1,1-bis(phenylsulfanyl)propan-2-ol (CID 87775610) is 1,1-bis(phenylsulfanyl)propan-2-ol.
What is the SMILES notation for 1,1-bis(phenylsulfanyl)propan-2-ol?
The canonical SMILES for 1,1-bis(phenylsulfanyl)propan-2-ol is CC(O)C(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of 1,1-bis(phenylsulfanyl)propan-2-ol?
The InChIKey is XODQPIQVVMFWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS2/c1-12(16)15(17-13-8-4-2-5-9-13)18-14-10-6-3-7-11-14/h2-12,15-16H,1H3.
What are the key properties of 1,1-bis(phenylsulfanyl)propan-2-ol?
1,1-bis(phenylsulfanyl)propan-2-ol has a molecular weight of 276.43 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(phenylsulfanyl)propan-2-ol is sourced from PubChem (CID 87775610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).