dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane

C17H20S — CID 126693424

IUPACdimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane
SMILESCS(C)(C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20S/c1-18(2,17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16/h3-14H,15H2,1-2H3/b12-9+
InChIKeyKOFSDHRPIMJPMJ-FMIVXFBMSA-N
MW256.41 g/mol
LogP4.82
Rot. Bonds4

About dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane

dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane (PubChem CID 126693424) has the molecular formula C17H20S and a molecular weight of 256.41 g/mol. Its IUPAC name is dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane.

Molecular Properties

Compound Namedimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane
PubChem CID126693424
Molecular FormulaC17H20S
Molecular Weight256.41 g/mol
Exact Mass256.13
IUPAC Namedimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane
SMILESCS(C)(C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20S/c1-18(2,17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16/h3-14H,15H2,1-2H3/b12-9+
InChIKeyKOFSDHRPIMJPMJ-FMIVXFBMSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-phenylprop-2-ene-1-sulfonyl fluoride
CID 87208395
dimethyl-[(E)-3-phenylprop-2-enyl]azanium chloride
CID 44725261
dimethyl(3-phenylprop-2-enyl)azanium chloride
CID 75065176
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
benzene;but-1-enylbenzene
CID 157481332
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
trimethyl-[(E)-3-phenylprop-2-enyl]azanium
CID 6434151
1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene
CID 74601306
4-chloropent-1-enylbenzene
CID 66808272
CID 70569152
CID 70569152
[(E)-4,4-bis(benzenesulfonyl)pent-1-enyl]benzene
CID 11015444
[(1E,4E)-hexa-1,4-dienyl]benzene
CID 13068859

Frequently Asked Questions

What is the IUPAC name of dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane?
The IUPAC name of dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane (CID 126693424) is dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane.
What is the SMILES notation for dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane?
The canonical SMILES for dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane is CS(C)(C/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane?
The InChIKey is KOFSDHRPIMJPMJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H20S/c1-18(2,17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16/h3-14H,15H2,1-2H3/b12-9+.
What are the key properties of dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane?
dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane has a molecular weight of 256.41 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane is sourced from PubChem (CID 126693424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).