2-amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester - CAS 108354-78-5
Catalog: |
BB054771 |
Product Name: |
2-amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester |
CAS: |
108354-78-5 |
Synonyms: |
methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate |
IUPAC Name: | methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Molecular Weight: | 211.28 |
Molecular Formula: | C10H13NO2S |
Canonical SMILES: | COC(=O)C1=C(SC2=C1CCCC2)N |
InChI: | InChI=1S/C10H13NO2S/c1-13-10(12)8-6-4-2-3-5-7(6)14-9(8)11/h2-5,11H2,1H3 |
InChI Key: | DKYYKIHEIOOWRB-UHFFFAOYSA-N |
Boiling Point: | 399 °C at 760 mmHg |
Density: | 1.273 g/cm3 |
Storage: | Keep in dark place. Inert atmosphere. Keep cold. |
MDL: | MFCD00130099 |
Precautionary Statement: | P261-P305+P351+P338 |
Signal Word: | Warning |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.06669983 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.06669983 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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