Isopropyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate - CAS 184174-82-1
Catalog: |
BB042609 |
Product Name: |
Isopropyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
CAS: |
184174-82-1 |
Synonyms: |
2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid isopropyl ester; Isopropyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate |
IUPAC Name: | propan-2-yl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Description: | Isopropyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS# 184174-82-1 ) is a useful research chemical. |
Molecular Weight: | 239.34 |
Molecular Formula: | C12H17NO2S |
Canonical SMILES: | CC(C)OC(=O)C1=C(SC2=C1CCCC2)N |
InChI: | InChI=1S/C12H17NO2S/c1-7(2)15-12(14)10-8-5-3-4-6-9(8)16-11(10)13/h7H,3-6,13H2,1-2H3 |
InChI Key: | ZSGGSRFAUQJEGT-UHFFFAOYSA-N |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.09799996 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.09799996 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 80.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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