Methyl 3-Aminothieno[2,3-b]pyridine-2-carboxylate - CAS 111042-89-8
Catalog: |
BB002701 |
Product Name: |
Methyl 3-Aminothieno[2,3-b]pyridine-2-carboxylate |
CAS: |
111042-89-8 |
Synonyms: |
methyl 3-aminothiopheno[2,3-b]pyridine-2-carboxylate; 3-Aminothieno[2,3-b]pyridine-2-carboxylic acid methyl ester |
IUPAC Name: | Methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate |
Description: | Methyl 3-Aminothieno[2,3-b]pyridine-2-carboxylate (CAS# 111042-89-8) is a useful research chemical. |
Molecular Weight: | 208.24 |
Molecular Formula: | C9H8N2O2S |
Canonical SMILES: | COC(=O)C1=C(C2=C(S1)N=CC=C2)N |
InChI: | InChI=1S/C9H8N2O2S/c1-13-9(12)7-6(10)5-3-2-4-11-8(5)14-7/h2-4H,10H2,1H3 |
InChI Key: | STCNNBXPNILVDE-UHFFFAOYSA-N |
Boiling Point: | 377.6 °C at 760 mmHg |
Density: | 1.422 g/cm3 |
MDL: | MFCD00174679 |
LogP: | 2.24630 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-1847541-A1 | Fused pyrimidine derivative and uses thereof | 20050203 |
JP-WO2006083005-A1 | Fused pyrimidine derivatives and uses thereof | 20050203 |
US-2009062258-A1 | Fused pyrimidine derivative and use thereof | 20050203 |
JP-2005194198-A | Thienopyridine compounds | 20031226 |
DE-10164139-A1 | 2-heteroaryl carboxamides | 20011227 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.03064868 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.03064868 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 93.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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