6,7-dichloro-4H-thieno[3,2-c]chromene-2-carboxylic acid

C12H6Cl2O3S — CID 86299361

IUPAC6,7-dichloro-4H-thieno[3,2-c]chromene-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)-c1ccc(Cl)c(Cl)c1OC2
InChIInChI=1S/C12H6Cl2O3S/c13-7-2-1-6-10(9(7)14)17-4-5-3-8(12(15)16)18-11(5)6/h1-3H,4H2,(H,15,16)
InChIKeyLIBRZGKAMVTQDT-UHFFFAOYSA-N
MW301.15 g/mol
LogP4.31
Rot. Bonds1

About 6,7-dichloro-4H-thieno[3,2-c]chromene-2-carboxylic acid

6,7-dichloro-4H-thieno[3,2-c]chromene-2-carboxylic acid (PubChem CID 86299361) has the molecular formula C12H6Cl2O3S and a molecular weight of 301.15 g/mol. Its IUPAC name is 6,7-dichloro-4H-thieno[3,2-c]chromene-2-carboxylic acid.

Molecular Properties

Compound Name6,7-dichloro-4H-thieno[3,2-c]chromene-2-carboxylic acid
PubChem CID86299361
Molecular FormulaC12H6Cl2O3S
Molecular Weight301.15 g/mol
Exact Mass299.94
IUPAC Name6,7-dichloro-4H-thieno[3,2-c]chromene-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)-c1ccc(Cl)c(Cl)c1OC2
InChIInChI=1S/C12H6Cl2O3S/c13-7-2-1-6-10(9(7)14)17-4-5-3-8(12(15)16)18-11(5)6/h1-3H,4H2,(H,15,16)
InChIKeyLIBRZGKAMVTQDT-UHFFFAOYSA-N
XLogP4.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4H-thieno[3,2-c]chromene-2-carboxylic acid?
The IUPAC name of 6,7-dichloro-4H-thieno[3,2-c]chromene-2-carboxylic acid (CID 86299361) is 6,7-dichloro-4H-thieno[3,2-c]chromene-2-carboxylic acid.
What is the SMILES notation for 6,7-dichloro-4H-thieno[3,2-c]chromene-2-carboxylic acid?
The canonical SMILES for 6,7-dichloro-4H-thieno[3,2-c]chromene-2-carboxylic acid is O=C(O)c1cc2c(s1)-c1ccc(Cl)c(Cl)c1OC2.
What is the InChIKey of 6,7-dichloro-4H-thieno[3,2-c]chromene-2-carboxylic acid?
The InChIKey is LIBRZGKAMVTQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2O3S/c13-7-2-1-6-10(9(7)14)17-4-5-3-8(12(15)16)18-11(5)6/h1-3H,4H2,(H,15,16).
What are the key properties of 6,7-dichloro-4H-thieno[3,2-c]chromene-2-carboxylic acid?
6,7-dichloro-4H-thieno[3,2-c]chromene-2-carboxylic acid has a molecular weight of 301.15 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4H-thieno[3,2-c]chromene-2-carboxylic acid is sourced from PubChem (CID 86299361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).