Methyl 2-aminothiophene-3-carboxylate - CAS 4651-81-4
Catalog: |
BB026145 |
Product Name: |
Methyl 2-aminothiophene-3-carboxylate |
CAS: |
4651-81-4 |
Synonyms: |
methyl 2-aminothiophene-3-carboxylate |
IUPAC Name: | methyl 2-aminothiophene-3-carboxylate |
Description: | Methyl 2-aminothiophene-3-carboxylate (CAS# 4651-81-4) is a useful research chemical. |
Molecular Weight: | 157.19 |
Molecular Formula: | C6H7NO2S |
Canonical SMILES: | COC(=O)C1=C(SC=C1)N |
InChI: | InChI=1S/C6H7NO2S/c1-9-6(8)4-2-3-10-5(4)7/h2-3H,7H2,1H3 |
InChI Key: | DGGJQLCAYQCPDD-UHFFFAOYSA-N |
Boiling Point: | 259.451 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.32 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD00159547 |
LogP: | 1.69810 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.01974964 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.01974964 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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Carbonyl Compounds
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