(1,1-dioxothiolan-3-yl)-(4-methylfuran-3-yl)methanone

C10H12O4S — CID 131071085

IUPAC(1,1-dioxothiolan-3-yl)-(4-methylfuran-3-yl)methanone
SMILESCc1cocc1C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H12O4S/c1-7-4-14-5-9(7)10(11)8-2-3-15(12,13)6-8/h4-5,8H,2-3,6H2,1H3
InChIKeyWUPOPLWKGFKGLW-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.21
Rot. Bonds2

About (1,1-dioxothiolan-3-yl)-(4-methylfuran-3-yl)methanone

(1,1-dioxothiolan-3-yl)-(4-methylfuran-3-yl)methanone (PubChem CID 131071085) has the molecular formula C10H12O4S and a molecular weight of 228.27 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)-(4-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)-(4-methylfuran-3-yl)methanone
PubChem CID131071085
Molecular FormulaC10H12O4S
Molecular Weight228.27 g/mol
Exact Mass228.05
IUPAC Name(1,1-dioxothiolan-3-yl)-(4-methylfuran-3-yl)methanone
SMILESCc1cocc1C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H12O4S/c1-7-4-14-5-9(7)10(11)8-2-3-15(12,13)6-8/h4-5,8H,2-3,6H2,1H3
InChIKeyWUPOPLWKGFKGLW-UHFFFAOYSA-N
XLogP1.21
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1,1-dioxothiolan-3-yl)-(4-methoxy-2-methylphenyl)methanone
CID 113289660
(1,1-dioxothiolan-3-yl)-(5-methylfuran-2-yl)methanone
CID 64913805
(1,1-dioxothiolan-3-yl)-(2-ethylphenyl)methanone
CID 62390362
(1,1-dioxothiolan-3-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 112670820
(1,1-dioxothiolan-3-yl)-(3-fluoro-5-methylphenyl)methanone
CID 115336304
(2-chloro-4,5-dimethoxyphenyl)-(1,1-dioxothiolan-3-yl)methanone
CID 64913790
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 64911293
(2-amino-4-methyl-3-pyridinyl)-(1,1-dioxothiolan-3-yl)methanone
CID 115336278
(1,1-dioxothiolan-3-yl)-(1-methylpyrazol-3-yl)methanone
CID 103130501
2,3-dihydrofuran-5-yl-(1,1-dioxothiolan-3-yl)methanone
CID 102651076
(4-bromo-5-methylthiophen-2-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 102826509
(1,1-dioxothiolan-3-yl)-(2-methylquinolin-6-yl)methanone
CID 115336329

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)-(4-methylfuran-3-yl)methanone?
The IUPAC name of (1,1-dioxothiolan-3-yl)-(4-methylfuran-3-yl)methanone (CID 131071085) is (1,1-dioxothiolan-3-yl)-(4-methylfuran-3-yl)methanone.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)-(4-methylfuran-3-yl)methanone?
The canonical SMILES for (1,1-dioxothiolan-3-yl)-(4-methylfuran-3-yl)methanone is Cc1cocc1C(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxothiolan-3-yl)-(4-methylfuran-3-yl)methanone?
The InChIKey is WUPOPLWKGFKGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4S/c1-7-4-14-5-9(7)10(11)8-2-3-15(12,13)6-8/h4-5,8H,2-3,6H2,1H3.
What are the key properties of (1,1-dioxothiolan-3-yl)-(4-methylfuran-3-yl)methanone?
(1,1-dioxothiolan-3-yl)-(4-methylfuran-3-yl)methanone has a molecular weight of 228.27 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)-(4-methylfuran-3-yl)methanone is sourced from PubChem (CID 131071085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).