(1-ethyl-1-phenylprop-2-enyl)sulfanylbenzene

C17H18S — CID 163524886

IUPAC(1-ethyl-1-phenylprop-2-enyl)sulfanylbenzene
SMILESC=CC(CC)(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18S/c1-3-17(4-2,15-11-7-5-8-12-15)18-16-13-9-6-10-14-16/h3,5-14H,1,4H2,2H3
InChIKeyDNXCRQJAUYYBKG-UHFFFAOYSA-N
MW254.40 g/mol
LogP5.27
Rot. Bonds5

About (1-ethyl-1-phenylprop-2-enyl)sulfanylbenzene

(1-ethyl-1-phenylprop-2-enyl)sulfanylbenzene (PubChem CID 163524886) has the molecular formula C17H18S and a molecular weight of 254.40 g/mol. Its IUPAC name is (1-ethyl-1-phenylprop-2-enyl)sulfanylbenzene.

Molecular Properties

Compound Name(1-ethyl-1-phenylprop-2-enyl)sulfanylbenzene
PubChem CID163524886
Molecular FormulaC17H18S
Molecular Weight254.40 g/mol
Exact Mass254.11
IUPAC Name(1-ethyl-1-phenylprop-2-enyl)sulfanylbenzene
SMILESC=CC(CC)(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18S/c1-3-17(4-2,15-11-7-5-8-12-15)18-16-13-9-6-10-14-16/h3,5-14H,1,4H2,2H3
InChIKeyDNXCRQJAUYYBKG-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.40
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

p-Tolyl sulfoxide
CID 15680
Thioxanthene
CID 67495
Benzyl phenyl sulfide
CID 13255
4,4'-Bis-methylsulfanyl-biphenyl
CID 618859
2,5-Diphenylthiophene
CID 74050
Bbifsshxmkxrcb-uhfffaoysa-
CID 3562913
Phenethyl phenyl sulfide
CID 139634
Phenyl 3-phenylpropyl sulphide
CID 141544
Alpha,alpha-bis(phenylthio)toluene
CID 608010
Benzene, 1-methyl-4-(phenylthio)-
CID 138011
4-Tert-butylphenyl methyl sulfide
CID 138968
Benzene, 1-methyl-2-(phenylthio)-
CID 139652

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-1-phenylprop-2-enyl)sulfanylbenzene?
The IUPAC name of (1-ethyl-1-phenylprop-2-enyl)sulfanylbenzene (CID 163524886) is (1-ethyl-1-phenylprop-2-enyl)sulfanylbenzene.
What is the SMILES notation for (1-ethyl-1-phenylprop-2-enyl)sulfanylbenzene?
The canonical SMILES for (1-ethyl-1-phenylprop-2-enyl)sulfanylbenzene is C=CC(CC)(Sc1ccccc1)c1ccccc1.
What is the InChIKey of (1-ethyl-1-phenylprop-2-enyl)sulfanylbenzene?
The InChIKey is DNXCRQJAUYYBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18S/c1-3-17(4-2,15-11-7-5-8-12-15)18-16-13-9-6-10-14-16/h3,5-14H,1,4H2,2H3.
What are the key properties of (1-ethyl-1-phenylprop-2-enyl)sulfanylbenzene?
(1-ethyl-1-phenylprop-2-enyl)sulfanylbenzene has a molecular weight of 254.40 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-1-phenylprop-2-enyl)sulfanylbenzene is sourced from PubChem (CID 163524886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).