2-(thiophene-2-carbonyl)pyran-4-one

C10H6O3S — CID 138976198

IUPAC2-(thiophene-2-carbonyl)pyran-4-one
SMILESO=C(c1cc(=O)cco1)c1cccs1
InChIInChI=1S/C10H6O3S/c11-7-3-4-13-8(6-7)10(12)9-2-1-5-14-9/h1-6H
InChIKeyRFSVRMXJZXNXIN-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.93
Rot. Bonds2

About 2-(thiophene-2-carbonyl)pyran-4-one

2-(thiophene-2-carbonyl)pyran-4-one (PubChem CID 138976198) has the molecular formula C10H6O3S and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-(thiophene-2-carbonyl)pyran-4-one.

Molecular Properties

Compound Name2-(thiophene-2-carbonyl)pyran-4-one
PubChem CID138976198
Molecular FormulaC10H6O3S
Molecular Weight206.22 g/mol
Exact Mass206.00
IUPAC Name2-(thiophene-2-carbonyl)pyran-4-one
SMILESO=C(c1cc(=O)cco1)c1cccs1
InChIInChI=1S/C10H6O3S/c11-7-3-4-13-8(6-7)10(12)9-2-1-5-14-9/h1-6H
InChIKeyRFSVRMXJZXNXIN-UHFFFAOYSA-N
XLogP1.93
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophene-2-carbonyl)pyran-4-one?
The IUPAC name of 2-(thiophene-2-carbonyl)pyran-4-one (CID 138976198) is 2-(thiophene-2-carbonyl)pyran-4-one.
What is the SMILES notation for 2-(thiophene-2-carbonyl)pyran-4-one?
The canonical SMILES for 2-(thiophene-2-carbonyl)pyran-4-one is O=C(c1cc(=O)cco1)c1cccs1.
What is the InChIKey of 2-(thiophene-2-carbonyl)pyran-4-one?
The InChIKey is RFSVRMXJZXNXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O3S/c11-7-3-4-13-8(6-7)10(12)9-2-1-5-14-9/h1-6H.
What are the key properties of 2-(thiophene-2-carbonyl)pyran-4-one?
2-(thiophene-2-carbonyl)pyran-4-one has a molecular weight of 206.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophene-2-carbonyl)pyran-4-one is sourced from PubChem (CID 138976198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).