1-cyclopenta-1,3-dien-1-yl-2-methylsulfanylethanone

C8H10OS — CID 15514432

IUPAC1-cyclopenta-1,3-dien-1-yl-2-methylsulfanylethanone
SMILESCSCC(=O)C1=CC=CC1
InChIInChI=1S/C8H10OS/c1-10-6-8(9)7-4-2-3-5-7/h2-4H,5-6H2,1H3
InChIKeyXEAOWEHDICRCRT-UHFFFAOYSA-N
MW154.23 g/mol
LogP1.80
Rot. Bonds3

About 1-cyclopenta-1,3-dien-1-yl-2-methylsulfanylethanone

1-cyclopenta-1,3-dien-1-yl-2-methylsulfanylethanone (PubChem CID 15514432) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-2-methylsulfanylethanone
PubChem CID15514432
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name1-cyclopenta-1,3-dien-1-yl-2-methylsulfanylethanone
SMILESCSCC(=O)C1=CC=CC1
InChIInChI=1S/C8H10OS/c1-10-6-8(9)7-4-2-3-5-7/h2-4H,5-6H2,1H3
InChIKeyXEAOWEHDICRCRT-UHFFFAOYSA-N
XLogP1.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methylsulfanyl]-1-cyclopenta-1,3-dien-1-ylethanone
CID 15514440
1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione
CID 123601552
ethyl cyclopenta-1,3-diene-1-carboxylate
CID 175029931
1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one
CID 12861283
1-cyclohepta-1,3,5-trien-1-yl-2-(1-hydroxycyclohexyl)ethanone
CID 10657221
N-hydroxy-N-methylcyclopenta-1,3-diene-1-carboxamide
CID 22887606
cyclopenta-1,3-dien-1-yl-(2-methylsulfanylphenyl)methanone
CID 102043267
1-(2-methylphenyl)-2-methylsulfanylethanone
CID 14815227
1-cyclopenta-1,3-dien-1-yl-3-(4-hydroxy-3-propan-2-ylphenyl)propan-1-one
CID 159137719
N-(1-hydroxy-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
CID 141292944
3-(cyclopenta-1,3-diene-1-carbonylamino)propanoic acid
CID 59440444
2-(cyclopenta-1,3-diene-1-carbonylamino)ethyl-ethyl-dimethylazanium
CID 102391499

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2-methylsulfanylethanone?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2-methylsulfanylethanone (CID 15514432) is 1-cyclopenta-1,3-dien-1-yl-2-methylsulfanylethanone.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-2-methylsulfanylethanone?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-2-methylsulfanylethanone is CSCC(=O)C1=CC=CC1.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-2-methylsulfanylethanone?
The InChIKey is XEAOWEHDICRCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-10-6-8(9)7-4-2-3-5-7/h2-4H,5-6H2,1H3.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-2-methylsulfanylethanone?
1-cyclopenta-1,3-dien-1-yl-2-methylsulfanylethanone has a molecular weight of 154.23 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yl-2-methylsulfanylethanone is sourced from PubChem (CID 15514432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).