2-Amino-4-(2,5-dimethylphenyl)thiophene-3-carbonitrile - CAS 519016-81-0
Catalog: |
BB074865 |
Product Name: |
2-Amino-4-(2,5-dimethylphenyl)thiophene-3-carbonitrile |
CAS: |
519016-81-0 |
Synonyms: |
2-Amino- 4- (2, 5- dimethylphenyl) -3- thiophenecarbonitril e |
IUPAC Name: | 2-amino-4-(2,5-dimethylphenyl)thiophene-3-carbonitrile |
Description: | 2-Amino-4-(2,5-dimethylphenyl)thiophene-3-carbonitrile |
Molecular Weight: | 228.31 |
Molecular Formula: | C13H12N2S |
Canonical SMILES: | CC1=CC(=C(C=C1)C)C2=CSC(=C2C#N)N |
InChI: | InChI=1S/C13H12N2S/c1-8-3-4-9(2)10(5-8)12-7-16-13(15)11(12)6-14/h3-5,7H,15H2,1-2H3 |
InChI Key: | YGAOADHWCFBYHS-UHFFFAOYSA-N |
Complexity: | 296 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.07211956 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.07211956 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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