1,3,4,5-Tetrahydrothiopyrano[4,3-b]indole-8-carboxylic Acid - CAS 94934-07-3
Catalog: |
BB041584 |
Product Name: |
1,3,4,5-Tetrahydrothiopyrano[4,3-b]indole-8-carboxylic Acid |
CAS: |
94934-07-3 |
Synonyms: |
1,3,4,5-tetrahydrothiopyrano[4,3-b]indole-8-carboxylic acid; 1,3,4,5-tetrahydrothiopyrano[4,3-b]indole-8-carboxylic acid |
IUPAC Name: | 1,3,4,5-tetrahydrothiopyrano[4,3-b]indole-8-carboxylic acid |
Description: | 1,3,4,5-Tetrahydrothiopyrano[4,3-b]indole-8-carboxylic Acid (CAS# 94934-07-3) is a useful research chemical. |
Molecular Weight: | 233.29 |
Molecular Formula: | C12H11NO2S |
Canonical SMILES: | C1CSCC2=C1NC3=C2C=C(C=C3)C(=O)O |
InChI: | InChI=1S/C12H11NO2S/c14-12(15)7-1-2-10-8(5-7)9-6-16-4-3-11(9)13-10/h1-2,5,13H,3-4,6H2,(H,14,15) |
InChI Key: | KWLCAPKPQWXVPQ-UHFFFAOYSA-N |
LogP: | 2.65540 |
PMID | Publication Date | Title | Journal |
17367895 | 20070801 | Structure-based discovery of new small molecule inhibitors of low molecular weight protein tyrosine phosphatase | European journal of medicinal chemistry |
Complexity: | 297 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.05104977 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.05104977 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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