cyclopenta-1,3-dien-1-yl-(2-methylsulfanylphenyl)methanone

C13H12OS — CID 102043267

IUPACcyclopenta-1,3-dien-1-yl-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)C1=CC=CC1
InChIInChI=1S/C13H12OS/c1-15-12-9-5-4-8-11(12)13(14)10-6-2-3-7-10/h2-6,8-9H,7H2,1H3
InChIKeyOXTNDWDYDRYBAZ-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.48
Rot. Bonds3

About cyclopenta-1,3-dien-1-yl-(2-methylsulfanylphenyl)methanone

cyclopenta-1,3-dien-1-yl-(2-methylsulfanylphenyl)methanone (PubChem CID 102043267) has the molecular formula C13H12OS and a molecular weight of 216.31 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yl-(2-methylsulfanylphenyl)methanone
PubChem CID102043267
Molecular FormulaC13H12OS
Molecular Weight216.31 g/mol
Exact Mass216.06
IUPAC Namecyclopenta-1,3-dien-1-yl-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)C1=CC=CC1
InChIInChI=1S/C13H12OS/c1-15-12-9-5-4-8-11(12)13(14)10-6-2-3-7-10/h2-6,8-9H,7H2,1H3
InChIKeyOXTNDWDYDRYBAZ-UHFFFAOYSA-N
XLogP3.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
2,5-bis(2-methylsulfanylbenzoyl)terephthalic acid
CID 23586491
2-methylsulfanylbenzoate
CID 6932478
(5-bromothiophen-2-yl)-(2-methylsulfanylphenyl)methanone
CID 79214842
2-methyl-1-(2-methylsulfanylphenyl)propan-1-one
CID 19361702
[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone
CID 24725530
cyclopropyl-(2-methylsulfanylphenyl)methanone
CID 24724093
(2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone
CID 115788569
(2-methylsulfanylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 79215369
(2-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methanone
CID 79215169
(2,4-dichlorophenyl)-(2-methylsulfanylphenyl)methanone
CID 79214960
1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione
CID 123601552

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-yl-(2-methylsulfanylphenyl)methanone?
The IUPAC name of cyclopenta-1,3-dien-1-yl-(2-methylsulfanylphenyl)methanone (CID 102043267) is cyclopenta-1,3-dien-1-yl-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for cyclopenta-1,3-dien-1-yl-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for cyclopenta-1,3-dien-1-yl-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)C1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-yl-(2-methylsulfanylphenyl)methanone?
The InChIKey is OXTNDWDYDRYBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12OS/c1-15-12-9-5-4-8-11(12)13(14)10-6-2-3-7-10/h2-6,8-9H,7H2,1H3.
What are the key properties of cyclopenta-1,3-dien-1-yl-(2-methylsulfanylphenyl)methanone?
cyclopenta-1,3-dien-1-yl-(2-methylsulfanylphenyl)methanone has a molecular weight of 216.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yl-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 102043267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).