Methyl 3-Amino-5-methylthiophene-2-carboxylate - CAS 76575-71-8
Catalog: |
BB035622 |
Product Name: |
Methyl 3-Amino-5-methylthiophene-2-carboxylate |
CAS: |
76575-71-8 |
Synonyms: |
3-amino-5-methyl-2-thiophenecarboxylic acid methyl ester; methyl 3-amino-5-methylthiophene-2-carboxylate |
IUPAC Name: | methyl 3-amino-5-methylthiophene-2-carboxylate |
Description: | Methyl 3-Amino-5-methylthiophene-2-carboxylate (CAS# 76575-71-8) is a useful building block and has been used in the synthesis of thiophene-anthranilamides as inhibitors of human factor Xa. |
Molecular Weight: | 171.22 |
Molecular Formula: | C7H9NO2S |
Canonical SMILES: | CC1=CC(=C(S1)C(=O)OC)N |
InChI: | InChI=1S/C7H9NO2S/c1-4-3-5(8)6(11-4)7(9)10-2/h3H,8H2,1-2H3 |
InChI Key: | FVKMOPIFLCMZMI-UHFFFAOYSA-N |
Boiling Point: | 319.2 °C at 760 mmHg |
Density: | 1.264 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00130095 |
LogP: | 2.00650 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111763218-A | Thienopyrimidinone thioglycolic acid derivative and preparation method and application thereof | 20200714 |
CN-111763218-B | Thienopyrimidinone thioglycolic acid derivative and preparation method and application thereof | 20200714 |
WO-2021156774-A1 | Combination therapy for treating mps1 | 20200203 |
WO-2021113809-A1 | Arylamides and methods of use thereof | 20191205 |
WO-2021032935-A1 | Enzyme inhibitors | 20190821 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.03539970 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.03539970 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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Amines and Anilines
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