(4-methylphenyl)-oxo-(3-phenylprop-2-enoxy)-sulfanylidene-λ6-sulfane

C16H16O2S2 — CID 54209699

IUPAC(4-methylphenyl)-oxo-(3-phenylprop-2-enoxy)-sulfanylidene-λ6-sulfane
SMILESCc1ccc(S(=O)(=S)OCC=Cc2ccccc2)cc1
InChIInChI=1S/C16H16O2S2/c1-14-9-11-16(12-10-14)20(17,19)18-13-5-8-15-6-3-2-4-7-15/h2-12H,13H2,1H3
InChIKeyPVBPLNCKPQESAY-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.75
Rot. Bonds5

About (4-methylphenyl)-oxo-(3-phenylprop-2-enoxy)-sulfanylidene-λ6-sulfane

(4-methylphenyl)-oxo-(3-phenylprop-2-enoxy)-sulfanylidene-λ6-sulfane (PubChem CID 54209699) has the molecular formula C16H16O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is (4-methylphenyl)-oxo-(3-phenylprop-2-enoxy)-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Name(4-methylphenyl)-oxo-(3-phenylprop-2-enoxy)-sulfanylidene-λ6-sulfane
PubChem CID54209699
Molecular FormulaC16H16O2S2
Molecular Weight304.44 g/mol
Exact Mass304.06
IUPAC Name(4-methylphenyl)-oxo-(3-phenylprop-2-enoxy)-sulfanylidene-λ6-sulfane
SMILESCc1ccc(S(=O)(=S)OCC=Cc2ccccc2)cc1
InChIInChI=1S/C16H16O2S2/c1-14-9-11-16(12-10-14)20(17,19)18-13-5-8-15-6-3-2-4-7-15/h2-12H,13H2,1H3
InChIKeyPVBPLNCKPQESAY-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(E)-5-phenylpent-4-enyl] 4-methylbenzenesulfonate
CID 19837254
[(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate
CID 102353447
[(E)-2-phenylethenyl] 4-methylbenzenesulfonate
CID 42643365
4-methylbenzenesulfonate;[(E)-3-phenylprop-2-enyl]azanium
CID 10542631
methyl (E)-2-[(4-methylphenyl)sulfonylamino]-2,5-diphenylpent-4-enoate
CID 101398756
1-[(2Z,5E)-2-(2-chloroethyl)-6-phenylhexa-2,5-dienyl]sulfonyl-4-methylbenzene
CID 176831789
N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 11696524
5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde
CID 77011403
4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide
CID 10519274
(1Z,3E)-1-(4-methylphenyl)sulfonyl-4-phenylbuta-1,3-dien-2-olate
CID 134098337
4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 46188827
4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide
CID 101398637

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-oxo-(3-phenylprop-2-enoxy)-sulfanylidene-λ6-sulfane?
The IUPAC name of (4-methylphenyl)-oxo-(3-phenylprop-2-enoxy)-sulfanylidene-λ6-sulfane (CID 54209699) is (4-methylphenyl)-oxo-(3-phenylprop-2-enoxy)-sulfanylidene-λ6-sulfane.
What is the SMILES notation for (4-methylphenyl)-oxo-(3-phenylprop-2-enoxy)-sulfanylidene-λ6-sulfane?
The canonical SMILES for (4-methylphenyl)-oxo-(3-phenylprop-2-enoxy)-sulfanylidene-λ6-sulfane is Cc1ccc(S(=O)(=S)OCC=Cc2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl)-oxo-(3-phenylprop-2-enoxy)-sulfanylidene-λ6-sulfane?
The InChIKey is PVBPLNCKPQESAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S2/c1-14-9-11-16(12-10-14)20(17,19)18-13-5-8-15-6-3-2-4-7-15/h2-12H,13H2,1H3.
What are the key properties of (4-methylphenyl)-oxo-(3-phenylprop-2-enoxy)-sulfanylidene-λ6-sulfane?
(4-methylphenyl)-oxo-(3-phenylprop-2-enoxy)-sulfanylidene-λ6-sulfane has a molecular weight of 304.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-oxo-(3-phenylprop-2-enoxy)-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 54209699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).