8-fluoro-4H-thieno[3,2-c]thiochromene-2-carboxylic acid

C12H7FO2S2 — CID 4995911

IUPAC8-fluoro-4H-thieno[3,2-c]thiochromene-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)-c1cc(F)ccc1SC2
InChIInChI=1S/C12H7FO2S2/c13-7-1-2-9-8(4-7)11-6(5-16-9)3-10(17-11)12(14)15/h1-4H,5H2,(H,14,15)
InChIKeyABVWPIVEGZQKRM-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.86
Rot. Bonds1

About 8-fluoro-4H-thieno[3,2-c]thiochromene-2-carboxylic acid

8-fluoro-4H-thieno[3,2-c]thiochromene-2-carboxylic acid (PubChem CID 4995911) has the molecular formula C12H7FO2S2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 8-fluoro-4H-thieno[3,2-c]thiochromene-2-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-4H-thieno[3,2-c]thiochromene-2-carboxylic acid
PubChem CID4995911
Molecular FormulaC12H7FO2S2
Molecular Weight266.32 g/mol
Exact Mass265.99
IUPAC Name8-fluoro-4H-thieno[3,2-c]thiochromene-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)-c1cc(F)ccc1SC2
InChIInChI=1S/C12H7FO2S2/c13-7-1-2-9-8(4-7)11-6(5-16-9)3-10(17-11)12(14)15/h1-4H,5H2,(H,14,15)
InChIKeyABVWPIVEGZQKRM-UHFFFAOYSA-N
XLogP3.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzo(b)thiophene-2-carboxylic acid
CID 95864
4H,5H-naphtho(1,2-b)thiophene-2-carboxylic acid
CID 695450
4-(Thiophen-2-yl)benzoic acid
CID 736498
4-(3-Thienyl)benzoic acid
CID 736862
5-Phenyl-2-Thiophenecarboxylic Acid
CID 736494
4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid
CID 2063443
Benzo(b)thiophene-3-carboxylic acid
CID 601280
5-Methyl-1-benzothiophene-2-carboxylic acid
CID 605987
3-Methyl-1-benzothiophene-2-carboxylic acid
CID 821868
3-[(2-Thienylthio)methyl]benzoic acid
CID 2819674
3-[5-(Trifluoroacetyl)thiophen-2-yl]benzoic Acid
CID 24896624
4H-thieno[3,2-c]thiochromene-2-carboxylic acid
CID 43120174

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4H-thieno[3,2-c]thiochromene-2-carboxylic acid?
The IUPAC name of 8-fluoro-4H-thieno[3,2-c]thiochromene-2-carboxylic acid (CID 4995911) is 8-fluoro-4H-thieno[3,2-c]thiochromene-2-carboxylic acid.
What is the SMILES notation for 8-fluoro-4H-thieno[3,2-c]thiochromene-2-carboxylic acid?
The canonical SMILES for 8-fluoro-4H-thieno[3,2-c]thiochromene-2-carboxylic acid is O=C(O)c1cc2c(s1)-c1cc(F)ccc1SC2.
What is the InChIKey of 8-fluoro-4H-thieno[3,2-c]thiochromene-2-carboxylic acid?
The InChIKey is ABVWPIVEGZQKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FO2S2/c13-7-1-2-9-8(4-7)11-6(5-16-9)3-10(17-11)12(14)15/h1-4H,5H2,(H,14,15).
What are the key properties of 8-fluoro-4H-thieno[3,2-c]thiochromene-2-carboxylic acid?
8-fluoro-4H-thieno[3,2-c]thiochromene-2-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4H-thieno[3,2-c]thiochromene-2-carboxylic acid is sourced from PubChem (CID 4995911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).