1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene

C17H18S — CID 71562360

IUPAC1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene
SMILESCCS/C(=C\c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H18S/c1-3-18-17(16-7-5-4-6-8-16)13-15-11-9-14(2)10-12-15/h4-13H,3H2,1-2H3/b17-13-
InChIKeyPEJVSTQOSSLQCN-LGMDPLHJSA-N
MW254.40 g/mol
LogP5.25
Rot. Bonds4

About 1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene

1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene (PubChem CID 71562360) has the molecular formula C17H18S and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene
PubChem CID71562360
Molecular FormulaC17H18S
Molecular Weight254.40 g/mol
Exact Mass254.11
IUPAC Name1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene
SMILESCCS/C(=C\c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H18S/c1-3-18-17(16-7-5-4-6-8-16)13-15-11-9-14(2)10-12-15/h4-13H,3H2,1-2H3/b17-13-
InChIKeyPEJVSTQOSSLQCN-LGMDPLHJSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.40
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene 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

(1-dodecylsulfanyl-2-phenylethenyl)benzene
CID 72811867
1-[(E)-2-bromo-2-phenylethenyl]-4-methylbenzene
CID 102070400
N-[4-(3,4-diphenylbuta-1,3-dienyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 54320320
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
(E,4E)-6-(4-methylphenyl)-4-[(4-methylphenyl)methylidene]-3-phenylhex-2-en-5-ynal
CID 139192251
4-[(E)-2-ethylsulfanyl-2-phenylethenyl]pyrimidin-2-amine
CID 15078075
(E)-N,N-dibenzyl-1,2-bis(4-methylphenyl)ethenamine
CID 132850322
(E)-2-(4-methylphenyl)-3-phenylprop-2-en-1-ol
CID 71219212
potassium trifluoro-[(Z)-2-(4-methylphenyl)-1-phenylethenyl]boranuide
CID 134876226
1-(1,2-diphenylethenylsulfanylmethyl)-3,5-dimethoxybenzene
CID 67108847
1-[(1E,3Z)-2-butyl-3-phenylocta-1,3-dienyl]-4-methylbenzene
CID 10544592
4-methylaniline;(E)-2-(4-methylphenyl)-1-phenylethenesulfonic acid
CID 90486972

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene?
The IUPAC name of 1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene (CID 71562360) is 1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene.
What is the SMILES notation for 1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene?
The canonical SMILES for 1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene is CCS/C(=C\c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene?
The InChIKey is PEJVSTQOSSLQCN-LGMDPLHJSA-N. The full InChI is InChI=1S/C17H18S/c1-3-18-17(16-7-5-4-6-8-16)13-15-11-9-14(2)10-12-15/h4-13H,3H2,1-2H3/b17-13-.
What are the key properties of 1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene?
1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene has a molecular weight of 254.40 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene is sourced from PubChem (CID 71562360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).