4H-thieno[3,2-c]chromene-2-carboxylate

C12H7O3S- — CID 2113887

IUPAC4H-thieno[3,2-c]chromene-2-carboxylate
SMILESO=C([O-])c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C12H8O3S/c13-12(14)10-5-7-6-15-9-4-2-1-3-8(9)11(7)16-10/h1-5H,6H2,(H,13,14)/p-1
InChIKeyZMEWPWRPNHFDRC-UHFFFAOYSA-M
MW231.25 g/mol
LogP1.67
Rot. Bonds1

About 4H-thieno[3,2-c]chromene-2-carboxylate

4H-thieno[3,2-c]chromene-2-carboxylate (PubChem CID 2113887) has the molecular formula C12H7O3S- and a molecular weight of 231.25 g/mol. Its IUPAC name is 4H-thieno[3,2-c]chromene-2-carboxylate.

Molecular Properties

Compound Name4H-thieno[3,2-c]chromene-2-carboxylate
PubChem CID2113887
Molecular FormulaC12H7O3S-
Molecular Weight231.25 g/mol
Exact Mass231.01
IUPAC Name4H-thieno[3,2-c]chromene-2-carboxylate
SMILESO=C([O-])c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C12H8O3S/c13-12(14)10-5-7-6-15-9-4-2-1-3-8(9)11(7)16-10/h1-5H,6H2,(H,13,14)/p-1
InChIKeyZMEWPWRPNHFDRC-UHFFFAOYSA-M
XLogP1.67
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4H-thieno[3,2-c]chromene-2-carboxylate?
The IUPAC name of 4H-thieno[3,2-c]chromene-2-carboxylate (CID 2113887) is 4H-thieno[3,2-c]chromene-2-carboxylate.
What is the SMILES notation for 4H-thieno[3,2-c]chromene-2-carboxylate?
The canonical SMILES for 4H-thieno[3,2-c]chromene-2-carboxylate is O=C([O-])c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of 4H-thieno[3,2-c]chromene-2-carboxylate?
The InChIKey is ZMEWPWRPNHFDRC-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H8O3S/c13-12(14)10-5-7-6-15-9-4-2-1-3-8(9)11(7)16-10/h1-5H,6H2,(H,13,14)/p-1.
What are the key properties of 4H-thieno[3,2-c]chromene-2-carboxylate?
4H-thieno[3,2-c]chromene-2-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-thieno[3,2-c]chromene-2-carboxylate is sourced from PubChem (CID 2113887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).