phenylsulfanylbenzene;propane-1,2-diol

C15H18O2S — CID 70267306

IUPACphenylsulfanylbenzene;propane-1,2-diol
SMILESCC(O)CO.c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C12H10S.C3H8O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3(5)2-4/h1-10H;3-5H,2H2,1H3
InChIKeyOSVQPDYOKZMOBP-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.20
Rot. Bonds3

About phenylsulfanylbenzene;propane-1,2-diol

phenylsulfanylbenzene;propane-1,2-diol (PubChem CID 70267306) has the molecular formula C15H18O2S and a molecular weight of 262.37 g/mol. Its IUPAC name is phenylsulfanylbenzene;propane-1,2-diol.

Molecular Properties

Compound Namephenylsulfanylbenzene;propane-1,2-diol
PubChem CID70267306
Molecular FormulaC15H18O2S
Molecular Weight262.37 g/mol
Exact Mass262.10
IUPAC Namephenylsulfanylbenzene;propane-1,2-diol
SMILESCC(O)CO.c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C12H10S.C3H8O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3(5)2-4/h1-10H;3-5H,2H2,1H3
InChIKeyOSVQPDYOKZMOBP-UHFFFAOYSA-N
XLogP3.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenylsulfanylbenzene;propane-1,2-diol?
The IUPAC name of phenylsulfanylbenzene;propane-1,2-diol (CID 70267306) is phenylsulfanylbenzene;propane-1,2-diol.
What is the SMILES notation for phenylsulfanylbenzene;propane-1,2-diol?
The canonical SMILES for phenylsulfanylbenzene;propane-1,2-diol is CC(O)CO.c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of phenylsulfanylbenzene;propane-1,2-diol?
The InChIKey is OSVQPDYOKZMOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S.C3H8O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3(5)2-4/h1-10H;3-5H,2H2,1H3.
What are the key properties of phenylsulfanylbenzene;propane-1,2-diol?
phenylsulfanylbenzene;propane-1,2-diol has a molecular weight of 262.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenylsulfanylbenzene;propane-1,2-diol is sourced from PubChem (CID 70267306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).