2-Amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile - CAS 60598-69-8
Catalog: |
BB074643 |
Product Name: |
2-Amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
CAS: |
60598-69-8 |
Synonyms: |
2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile; 2-amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile |
IUPAC Name: | 2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
Description: | 2-Amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
Molecular Weight: | 192.28 |
Molecular Formula: | C10H12N2S |
Canonical SMILES: | CC1CCCC2=C1C(=C(S2)N)C#N |
InChI: | InChI=1S/C10H12N2S/c1-6-3-2-4-8-9(6)7(5-11)10(12)13-8/h6H,2-4,12H2,1H3 |
InChI Key: | WATZWLWPXSJZOA-UHFFFAOYSA-N |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.07211956 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.07211956 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 78Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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