ethyl 6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate

C10H12O4S2 — CID 114748134

IUPACethyl 6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate
SMILESCCOC(=O)c1csc2c1CCS(=O)(=O)C2
InChIInChI=1S/C10H12O4S2/c1-2-14-10(11)8-5-15-9-6-16(12,13)4-3-7(8)9/h5H,2-4,6H2,1H3
InChIKeySZNQFALWQSQHKO-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.40
Rot. Bonds2

About ethyl 6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate

ethyl 6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate (PubChem CID 114748134) has the molecular formula C10H12O4S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethyl 6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate
PubChem CID114748134
Molecular FormulaC10H12O4S2
Molecular Weight260.34 g/mol
Exact Mass260.02
IUPAC Nameethyl 6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate
SMILESCCOC(=O)c1csc2c1CCS(=O)(=O)C2
InChIInChI=1S/C10H12O4S2/c1-2-14-10(11)8-5-15-9-6-16(12,13)4-3-7(8)9/h5H,2-4,6H2,1H3
InChIKeySZNQFALWQSQHKO-UHFFFAOYSA-N
XLogP1.40
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate with MolForge

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Related Compounds

ethyl (5R)-5-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 170560702
butyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 78915216
ethyl 6,6-dioxo-2-propan-2-yl-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carboxylate
CID 116533353
ethyl 2-[[2-(4-bromophenyl)acetyl]amino]-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate
CID 16602833
ethyl 7-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 165143037
ethyl 5,7-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 114748162
ethyl 4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)benzoate
CID 769095
ethyl 4-ethyl-5-methylthiophene-3-carboxylate
CID 114748154
methyl 6,6-dimethyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate
CID 114748196
ethyl 5-(2-acetyloxyethyl)-4-methylthiophene-3-carboxylate
CID 11345878
ethyl 1,1,4-trioxo-2,3-dihydrothiochromene-8-carboxylate
CID 126457125
ethyl 4,4,6,6-tetramethylthieno[2,3-c]furan-3-carboxylate
CID 114748150

Frequently Asked Questions

What is the IUPAC name of ethyl 6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate?
The IUPAC name of ethyl 6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate (CID 114748134) is ethyl 6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate.
What is the SMILES notation for ethyl 6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate?
The canonical SMILES for ethyl 6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate is CCOC(=O)c1csc2c1CCS(=O)(=O)C2.
What is the InChIKey of ethyl 6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate?
The InChIKey is SZNQFALWQSQHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4S2/c1-2-14-10(11)8-5-15-9-6-16(12,13)4-3-7(8)9/h5H,2-4,6H2,1H3.
What are the key properties of ethyl 6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate?
ethyl 6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate is sourced from PubChem (CID 114748134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).