Sec-butyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate - CAS 438220-75-8
Catalog: |
BB044727 |
Product Name: |
Sec-butyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
CAS: |
438220-75-8 |
Synonyms: |
sec-Butyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate; 2-amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid sec-butyl ester |
IUPAC Name: | butan-2-yl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Description: | Sec-butyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS# 438220-75-8 ) is a useful research chemical. |
Molecular Weight: | 253.36 |
Molecular Formula: | C13H19NO2S |
Canonical SMILES: | CCC(C)OC(=O)C1=C(SC2=C1CCCC2)N |
InChI: | InChI=1S/C13H19NO2S/c1-3-8(2)16-13(15)11-9-6-4-5-7-10(9)17-12(11)14/h8H,3-7,14H2,1-2H3 |
InChI Key: | AATLUXISVORLDM-UHFFFAOYSA-N |
Boiling Point: | 420.6±45.0 °C at 760 mmHg |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.11365002 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.11365002 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 80.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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