| CAS Number | 37845-63-9 |
| Catalog Number | AG01AGT8 |
| Chemical Name | 3-[(2-aminophenyl)sulfanyl]-2-methylpropanenitrile |
| IUPAC Name | 3-(2-aminophenyl)sulfanyl-2-methylpropanenitrile |
| InChI | InChI=1S/C10H12N2S/c1-8(6-11)7-13-10-5-3-2-4-9(10)12/h2-5,8H,7,12H2,1H3 |
| InChI Key | LEJKBHPVLSGOKK-UHFFFAOYSA-N |
| MDL Number | MFCD18380652 |
| Molecular Formula | C10H12N2S |
| Molecular Weight | 192.2807 |
| SMILES | CC(C#N)CSC1=C(N)C=CC=C1 |
| Synonyms | 3-[(2-aminophenyl)sulfanyl]-2-methylpropanenitrile,
37845-63-9,
AC1Q2B3Z,
AKOS033211542,
MCULE-2305865629,
NE18443,
EN300-72784,
Z1266854854,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.28g/mol |
| Monoisotopic Mass | 192.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number