(1,1-dioxo-2,3-dihydrothiophen-3-yl)-phenylmethanone

C11H10O3S — CID 71326877

IUPAC(1,1-dioxo-2,3-dihydrothiophen-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C11H10O3S/c12-11(9-4-2-1-3-5-9)10-6-7-15(13,14)8-10/h1-7,10H,8H2
InChIKeyDLXIMBOFOHWHDK-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.43
Rot. Bonds2

About (1,1-dioxo-2,3-dihydrothiophen-3-yl)-phenylmethanone

(1,1-dioxo-2,3-dihydrothiophen-3-yl)-phenylmethanone (PubChem CID 71326877) has the molecular formula C11H10O3S and a molecular weight of 222.27 g/mol. Its IUPAC name is (1,1-dioxo-2,3-dihydrothiophen-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(1,1-dioxo-2,3-dihydrothiophen-3-yl)-phenylmethanone
PubChem CID71326877
Molecular FormulaC11H10O3S
Molecular Weight222.27 g/mol
Exact Mass222.04
IUPAC Name(1,1-dioxo-2,3-dihydrothiophen-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C11H10O3S/c12-11(9-4-2-1-3-5-9)10-6-7-15(13,14)8-10/h1-7,10H,8H2
InChIKeyDLXIMBOFOHWHDK-UHFFFAOYSA-N
XLogP1.43
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylbenzamide
CID 1382277
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide
CID 18880283
N-(4-bromophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide
CID 2228824
N-(3,4-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide
CID 6556149
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
[(2R,3S)-3-deuteriooxiran-2-yl]-phenylmethanone
CID 101354786
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)benzamide
CID 40642888
[(1R,2R,3S,4R)-3-benzoyl-2-bicyclo[2.2.1]hept-5-enyl]-phenylmethanone
CID 98136767
phenyl-(3-phenylcyclopent-2-en-1-yl)methanone
CID 174917838
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethoxyphenyl)benzamide
CID 2222051
(4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone
CID 4269490

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-2,3-dihydrothiophen-3-yl)-phenylmethanone?
The IUPAC name of (1,1-dioxo-2,3-dihydrothiophen-3-yl)-phenylmethanone (CID 71326877) is (1,1-dioxo-2,3-dihydrothiophen-3-yl)-phenylmethanone.
What is the SMILES notation for (1,1-dioxo-2,3-dihydrothiophen-3-yl)-phenylmethanone?
The canonical SMILES for (1,1-dioxo-2,3-dihydrothiophen-3-yl)-phenylmethanone is O=C(c1ccccc1)C1C=CS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxo-2,3-dihydrothiophen-3-yl)-phenylmethanone?
The InChIKey is DLXIMBOFOHWHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c12-11(9-4-2-1-3-5-9)10-6-7-15(13,14)8-10/h1-7,10H,8H2.
What are the key properties of (1,1-dioxo-2,3-dihydrothiophen-3-yl)-phenylmethanone?
(1,1-dioxo-2,3-dihydrothiophen-3-yl)-phenylmethanone has a molecular weight of 222.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-2,3-dihydrothiophen-3-yl)-phenylmethanone is sourced from PubChem (CID 71326877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).