2-Amino-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide - CAS 60598-68-7
Catalog: |
BB045814 |
Product Name: |
2-Amino-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
CAS: |
60598-68-7 |
Synonyms: |
2-Amino-N-Phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide; 2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid phenylamide; (2-amino(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl))-N-benzamide |
IUPAC Name: | 2-amino-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
Description: | 2-Amino-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS# 60598-68-7 ) is a useful research chemical. |
Molecular Weight: | 272.4 |
Molecular Formula: | C15H16N2OS |
Canonical SMILES: | C1CCC2=C(C1)C(=C(S2)N)C(=O)NC3=CC=CC=C3 |
InChI: | InChI=1S/C15H16N2OS/c16-14-13(11-8-4-5-9-12(11)19-14)15(18)17-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,16H2,(H,17,18) |
InChI Key: | LQUUHYBNHKLHAB-UHFFFAOYSA-N |
Boiling Point: | 433.7±45.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 330 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.09833431 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.09833431 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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