ethane-1,2-diol;phenylsulfanylbenzene

C14H16O2S — CID 23432798

IUPACethane-1,2-diol;phenylsulfanylbenzene
SMILESOCCO.c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C12H10S.C2H6O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;3-1-2-4/h1-10H;3-4H,1-2H2
InChIKeyMVPIBAFFEQWSAZ-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.81
Rot. Bonds3

About ethane-1,2-diol;phenylsulfanylbenzene

ethane-1,2-diol;phenylsulfanylbenzene (PubChem CID 23432798) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is ethane-1,2-diol;phenylsulfanylbenzene.

Molecular Properties

Compound Nameethane-1,2-diol;phenylsulfanylbenzene
PubChem CID23432798
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Nameethane-1,2-diol;phenylsulfanylbenzene
SMILESOCCO.c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C12H10S.C2H6O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;3-1-2-4/h1-10H;3-4H,1-2H2
InChIKeyMVPIBAFFEQWSAZ-UHFFFAOYSA-N
XLogP2.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;phenylsulfanylbenzene?
The IUPAC name of ethane-1,2-diol;phenylsulfanylbenzene (CID 23432798) is ethane-1,2-diol;phenylsulfanylbenzene.
What is the SMILES notation for ethane-1,2-diol;phenylsulfanylbenzene?
The canonical SMILES for ethane-1,2-diol;phenylsulfanylbenzene is OCCO.c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of ethane-1,2-diol;phenylsulfanylbenzene?
The InChIKey is MVPIBAFFEQWSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S.C2H6O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;3-1-2-4/h1-10H;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;phenylsulfanylbenzene?
ethane-1,2-diol;phenylsulfanylbenzene has a molecular weight of 248.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;phenylsulfanylbenzene is sourced from PubChem (CID 23432798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).