Methyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate - CAS 308292-45-7
Catalog: |
BB042607 |
Product Name: |
Methyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
CAS: |
308292-45-7 |
Synonyms: |
Methyl 2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate; 2-Amino-6-methyl-4,5,6,7-tetrahydro-benzo[b]-thiophene-3-carboxylic acid methyl ester |
IUPAC Name: | methyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Description: | Methyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS# 308292-45-7 ) is a useful research chemical. |
Molecular Weight: | 225.31 |
Molecular Formula: | C11H15NO2S |
Canonical SMILES: | CC1CCC2=C(C1)SC(=C2C(=O)OC)N |
InChI: | InChI=1S/C11H15NO2S/c1-6-3-4-7-8(5-6)15-10(12)9(7)11(13)14-2/h6H,3-5,12H2,1-2H3 |
InChI Key: | YHYBWJHQHFHSSW-UHFFFAOYSA-N |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.08234989 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.08234989 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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