| CAS Number | 10413-35-1 |
| Catalog Number | AG00949I(AGN-PC-0WRAEZ) |
| Chemical Name | 2-Amino-4-isopropylthiophene-3-carbonitrile |
| IUPAC Name | 2-amino-4-propan-2-ylthiophene-3-carbonitrile |
| InChI | InChI=1S/C8H10N2S/c1-5(2)7-4-11-8(10)6(7)3-9/h4-5H,10H2,1-2H3 |
| InChI Key | XZOSPVPFYDLNQL-UHFFFAOYSA-N |
| MDL Number | MFCD10695775 |
| Molecular Formula | C8H10N2S |
| Molecular Weight | 166.2434 |
| SMILES | N#Cc1c(N)scc1C(C)C |
| Synonyms | 2-amino-4-isopropylthiophene-3-carbonitrile,
10413-35-1,
SCHEMBL10713034,
XZOSPVPFYDLNQL-UHFFFAOYSA-N,
KM5591,
ZINC33501109,
AKOS005200689,
2-amino-3-cyano-4-isopropyl-thiophene,
Z6731,
2-AMINO-4-(PROPAN-2-YL)THIOPHENE-3-CARBONITRILE,
C8H10N2S,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.242g/mol |
| Monoisotopic Mass | 166.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number