2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE 95211-68-0 wiki

1.1 Name: 2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE

1.2 Synonyms: (6R)-2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide; (6S)-2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide; 1-BENZOTHIOPHENE-3-CARBOXAMIDE, 2-AMINO-4,5,6,7-TETRAHYDRO-6-METHYL-; 2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE; 2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID AMIDE; AKOS BB-8580; ART-CHEM-BB B006830; ASISCHEM W76235; Benzo[b]thiophene-3-carboxamide, 2-amino-4,5,6,7-tetrahydro-6-methyl-, (6R)-; Benzo[b]thiophene-3-carboxamide, 2-amino-4,5,6,7-tetrahydro-6-methyl-, (6S)-; Benzo[b]thiophene-3-carboxamide,2-amino-4,5,6,7-tetrahydro-6-methyl-; TIMTEC-BB SBB007023;

1.6 Inchi: InChI=1S/C10H14N2OS/c1-5-2-3-6-7(4-5)14-10(12)8(6)9(11)13/h5H,2-4,12H2,1H3,(H2,11,13)

589-92-4 90 Suppliers

107-91-5 258 Suppliers

95211-68-0 15 Suppliers

6. Precursor and Product

precursor:

107-91-5

589-92-4

product:

137438-23-4

95211-71-5

7. Computed Properties

Molecular Weight：210.295g/mol
Molecular Formula：C₁₀H₁₄N₂OS
Compound Is Canonicalized：True
Exact Mass：2.3
XLogP3-AA：210.08268425
Monoisotopic Mass：210.08268425
Complexity：246
Rotatable Bond Count：1
Hydrogen Bond Donor Count：2
Hydrogen Bond Acceptor Count：3
Topological Polar Surface Area：97.4
Heavy Atom Count：：14
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：1
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBzIABAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAEgBgAAAHgQQAAAADQCB2AACgYBAAAiMAgFQUACDAIBkCBEAiBEARMgIIDqg1JGAAYBggAAoyUcYiMCOgAAAAAAAAACAAAEAAAgAAAAAAAAAAA==