8-methyl-5,5-dioxo-4H-[1]benzothiepino[4,3-b]furan-10-one

C13H10O4S — CID 20642525

IUPAC8-methyl-5,5-dioxo-4H-[1]benzothiepino[4,3-b]furan-10-one
SMILESCc1ccc2c(c1)C(=O)c1occc1CS2(=O)=O
InChIInChI=1S/C13H10O4S/c1-8-2-3-11-10(6-8)12(14)13-9(4-5-17-13)7-18(11,15)16/h2-6H,7H2,1H3
InChIKeyDZOMFHMWKTUVGY-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.11
Rot. Bonds

About 8-methyl-5,5-dioxo-4H-[1]benzothiepino[4,3-b]furan-10-one

8-methyl-5,5-dioxo-4H-[1]benzothiepino[4,3-b]furan-10-one (PubChem CID 20642525) has the molecular formula C13H10O4S and a molecular weight of 262.29 g/mol. Its IUPAC name is 8-methyl-5,5-dioxo-4H-[1]benzothiepino[4,3-b]furan-10-one.

Molecular Properties

Compound Name8-methyl-5,5-dioxo-4H-[1]benzothiepino[4,3-b]furan-10-one
PubChem CID20642525
Molecular FormulaC13H10O4S
Molecular Weight262.29 g/mol
Exact Mass262.03
IUPAC Name8-methyl-5,5-dioxo-4H-[1]benzothiepino[4,3-b]furan-10-one
SMILESCc1ccc2c(c1)C(=O)c1occc1CS2(=O)=O
InChIInChI=1S/C13H10O4S/c1-8-2-3-11-10(6-8)12(14)13-9(4-5-17-13)7-18(11,15)16/h2-6H,7H2,1H3
InChIKeyDZOMFHMWKTUVGY-UHFFFAOYSA-N
XLogP2.11
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-methyl-5,5-dioxo-4H-[1]benzothiepino[4,3-b]furan-10-one with MolForge

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Related Compounds

8-methyl-6,11-dihydroindeno[1,2-c]thiochromene 5,5-dioxide
CID 157104762
5,5-dioxo-4H-furo[2,3-d]thiazin-7-one
CID 130817060
ethane;2-methyl-10,10-dioxothioxanthen-9-one
CID 145125707
5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 10537791
9-methyl-6,11-dihydrobenzo[c][1,5]benzothiazepine 5,5-dioxide
CID 122641676
5,12-dimethyl-4-oxa-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaen-2-one
CID 22003613
1-(5-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 117201778
3-amino-6-methyl-10,10-dioxothioxanthen-9-one
CID 10084677
5-bromo-1,1-dioxo-1-benzothiophen-3-one
CID 90458902
3-(3,7-dimethyl-1,4-dioxonaphthalen-2-yl)-2,6-dimethylnaphthalene-1,4-dione
CID 59053380
1,1-dioxo-1-benzothiophen-3-one;ethane
CID 90843424
4,6-dimethyl-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
CID 101432308

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5,5-dioxo-4H-[1]benzothiepino[4,3-b]furan-10-one?
The IUPAC name of 8-methyl-5,5-dioxo-4H-[1]benzothiepino[4,3-b]furan-10-one (CID 20642525) is 8-methyl-5,5-dioxo-4H-[1]benzothiepino[4,3-b]furan-10-one.
What is the SMILES notation for 8-methyl-5,5-dioxo-4H-[1]benzothiepino[4,3-b]furan-10-one?
The canonical SMILES for 8-methyl-5,5-dioxo-4H-[1]benzothiepino[4,3-b]furan-10-one is Cc1ccc2c(c1)C(=O)c1occc1CS2(=O)=O.
What is the InChIKey of 8-methyl-5,5-dioxo-4H-[1]benzothiepino[4,3-b]furan-10-one?
The InChIKey is DZOMFHMWKTUVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O4S/c1-8-2-3-11-10(6-8)12(14)13-9(4-5-17-13)7-18(11,15)16/h2-6H,7H2,1H3.
What are the key properties of 8-methyl-5,5-dioxo-4H-[1]benzothiepino[4,3-b]furan-10-one?
8-methyl-5,5-dioxo-4H-[1]benzothiepino[4,3-b]furan-10-one has a molecular weight of 262.29 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5,5-dioxo-4H-[1]benzothiepino[4,3-b]furan-10-one is sourced from PubChem (CID 20642525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).