2-Amino-4-isobutyl-5-isopropylthiophene-3-carbonitrile - CAS 952958-74-6
Catalog: |
BB074696 |
Product Name: |
2-Amino-4-isobutyl-5-isopropylthiophene-3-carbonitrile |
CAS: |
952958-74-6 |
Synonyms: |
2-Amino-5-(1-methylethyl)-4-(2-methylpropyl)-3-thiophenecarbonitrile |
IUPAC Name: | 2-amino-4-(2-methylpropyl)-5-propan-2-ylthiophene-3-carbonitrile |
Description: | 2-Amino-4-isobutyl-5-isopropylthiophene-3-carbonitrile |
Molecular Weight: | 222.35 |
Molecular Formula: | C12H18N2S |
Canonical SMILES: | CC(C)CC1=C(SC(=C1C#N)N)C(C)C |
InChI: | InChI=1S/C12H18N2S/c1-7(2)5-9-10(6-13)12(14)15-11(9)8(3)4/h7-8H,5,14H2,1-4H3 |
InChI Key: | HNMXLKIOUBACHJ-UHFFFAOYSA-N |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.11906976 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.11906976 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 78Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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