1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-ethylsulfanylbenzene

C16H20S — CID 87976759

IUPAC1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-ethylsulfanylbenzene
SMILESCCSc1ccccc1C(C)(C)C1=CCC=C1
InChIInChI=1S/C16H20S/c1-4-17-15-12-8-7-11-14(15)16(2,3)13-9-5-6-10-13/h5,7-12H,4,6H2,1-3H3
InChIKeyVIVSACDYSYFNRW-UHFFFAOYSA-N
MW244.40 g/mol
LogP4.96
Rot. Bonds4

About 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-ethylsulfanylbenzene

1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-ethylsulfanylbenzene (PubChem CID 87976759) has the molecular formula C16H20S and a molecular weight of 244.40 g/mol. Its IUPAC name is 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-ethylsulfanylbenzene.

Molecular Properties

Compound Name1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-ethylsulfanylbenzene
PubChem CID87976759
Molecular FormulaC16H20S
Molecular Weight244.40 g/mol
Exact Mass244.13
IUPAC Name1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-ethylsulfanylbenzene
SMILESCCSc1ccccc1C(C)(C)C1=CCC=C1
InChIInChI=1S/C16H20S/c1-4-17-15-12-8-7-11-14(15)16(2,3)13-9-5-6-10-13/h5,7-12H,4,6H2,1-3H3
InChIKeyVIVSACDYSYFNRW-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-ethylsulfanylbenzene 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

2-ethylsulfanylcyclopenta-1,3-diene
CID 22555381
(1-cyclopenta-1,4-dien-1-yl-1-phenylpropyl)benzene
CID 87377152
1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylbenzene
CID 142667155
2-(2-cyclopenta-1,4-dien-1-ylbutan-2-yl)thiophene
CID 139240478
9-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 137147855
2-bromo-1-ethylsulfanyl-3-(trifluoromethyl)benzene
CID 91876340
1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene
CID 156695476
(2-butylsulfanylphenyl)-cyclopenta-1,4-dien-1-yl-dimethylsilane
CID 22555346
1-bromo-4-(2-ethylsulfanylphenyl)benzene
CID 67283557
chloro-(2-ethylsulfanylphenyl)methanamine
CID 174741765
N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine
CID 19033357
3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene
CID 91047474

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-ethylsulfanylbenzene?
The IUPAC name of 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-ethylsulfanylbenzene (CID 87976759) is 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-ethylsulfanylbenzene.
What is the SMILES notation for 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-ethylsulfanylbenzene?
The canonical SMILES for 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-ethylsulfanylbenzene is CCSc1ccccc1C(C)(C)C1=CCC=C1.
What is the InChIKey of 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-ethylsulfanylbenzene?
The InChIKey is VIVSACDYSYFNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20S/c1-4-17-15-12-8-7-11-14(15)16(2,3)13-9-5-6-10-13/h5,7-12H,4,6H2,1-3H3.
What are the key properties of 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-ethylsulfanylbenzene?
1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-ethylsulfanylbenzene has a molecular weight of 244.40 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-ethylsulfanylbenzene is sourced from PubChem (CID 87976759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).