carbonic acid;1-phenylsulfanyl-4-prop-1-enylbenzene

C16H16O3S — CID 162146810

IUPACcarbonic acid;1-phenylsulfanyl-4-prop-1-enylbenzene
SMILESCC=Cc1ccc(Sc2ccccc2)cc1.O=C(O)O
InChIInChI=1S/C15H14S.CH2O3/c1-2-6-13-9-11-15(12-10-13)16-14-7-4-3-5-8-14;2-1(3)4/h2-12H,1H3;(H2,2,3,4)
InChIKeyZKQVFPFLZCBAAP-UHFFFAOYSA-N
MW288.37 g/mol
LogP5.09
Rot. Bonds3

About carbonic acid;1-phenylsulfanyl-4-prop-1-enylbenzene

carbonic acid;1-phenylsulfanyl-4-prop-1-enylbenzene (PubChem CID 162146810) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is carbonic acid;1-phenylsulfanyl-4-prop-1-enylbenzene.

Molecular Properties

Compound Namecarbonic acid;1-phenylsulfanyl-4-prop-1-enylbenzene
PubChem CID162146810
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Namecarbonic acid;1-phenylsulfanyl-4-prop-1-enylbenzene
SMILESCC=Cc1ccc(Sc2ccccc2)cc1.O=C(O)O
InChIInChI=1S/C15H14S.CH2O3/c1-2-6-13-9-11-15(12-10-13)16-14-7-4-3-5-8-14;2-1(3)4/h2-12H,1H3;(H2,2,3,4)
InChIKeyZKQVFPFLZCBAAP-UHFFFAOYSA-N
XLogP5.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.37
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-phenylsulfanyl-4-prop-1-enylbenzene?
The IUPAC name of carbonic acid;1-phenylsulfanyl-4-prop-1-enylbenzene (CID 162146810) is carbonic acid;1-phenylsulfanyl-4-prop-1-enylbenzene.
What is the SMILES notation for carbonic acid;1-phenylsulfanyl-4-prop-1-enylbenzene?
The canonical SMILES for carbonic acid;1-phenylsulfanyl-4-prop-1-enylbenzene is CC=Cc1ccc(Sc2ccccc2)cc1.O=C(O)O.
What is the InChIKey of carbonic acid;1-phenylsulfanyl-4-prop-1-enylbenzene?
The InChIKey is ZKQVFPFLZCBAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14S.CH2O3/c1-2-6-13-9-11-15(12-10-13)16-14-7-4-3-5-8-14;2-1(3)4/h2-12H,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;1-phenylsulfanyl-4-prop-1-enylbenzene?
carbonic acid;1-phenylsulfanyl-4-prop-1-enylbenzene has a molecular weight of 288.37 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-phenylsulfanyl-4-prop-1-enylbenzene is sourced from PubChem (CID 162146810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).