5-[4-(Methylthio)phenyl]thiophene-2-carboxylic acid - CAS 870703-97-2
Catalog: |
BB038215 |
Product Name: |
5-[4-(Methylthio)phenyl]thiophene-2-carboxylic acid |
CAS: |
870703-97-2 |
Synonyms: |
5-(4-methylsulfanylphenyl)thiophene-2-carboxylic acid |
IUPAC Name: | 5-(4-methylsulfanylphenyl)thiophene-2-carboxylic acid |
Description: | 5-[4-(Methylthio)phenyl]thiophene-2-carboxylic acid (CAS# 870703-97-2) is a useful research chemical. |
Molecular Weight: | 250.34 |
Molecular Formula: | C12H10O2S2 |
Canonical SMILES: | CSC1=CC=C(C=C1)C2=CC=C(S2)C(=O)O |
InChI: | InChI=1S/C12H10O2S2/c1-15-9-4-2-8(3-5-9)10-6-7-11(16-10)12(13)14/h2-7H,1H3,(H,13,14) |
InChI Key: | XESWRPZAGPHDST-UHFFFAOYSA-N |
Boiling Point: | 447.51 °C at 760 mmHg |
Density: | 1.382 g/cm3 |
MDL: | MFCD06801936 |
LogP: | 3.83520 |
Publication Number | Title | Priority Date |
US-2005209284-A1 | Tec kinase inhibitors | 20040212 |
WO-2005079791-A1 | Thiophene -2- carboxylic acid - (1h - benzimidazol - 2 yl) - amide derivatives and related compounds as inhibitors of the tec kinase itk (interleukin -2- inducible t cell kinase) for the treatment of inflammation, immunological and allergic disorders | 20040212 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.0122219 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.0122219 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 90.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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