| CAS Number | 730950-96-6 |
| Catalog Number | AG019J5L |
| Chemical Name | [(4-Amino-3-ethyl-5-methylphenyl)sulfanyl]formonitrile |
| IUPAC Name | (4-amino-3-ethyl-5-methylphenyl) thiocyanate |
| InChI | InChI=1S/C10H12N2S/c1-3-8-5-9(13-6-11)4-7(2)10(8)12/h4-5H,3,12H2,1-2H3 |
| InChI Key | ARNYTCIHTIYQHE-UHFFFAOYSA-N |
| MDL Number | MFCD00613378 |
| Molecular Formula | C10H12N2S |
| Molecular Weight | 192.2807 |
| SMILES | CCC1=C(N)C(C)=CC(SC#N)=C1 |
| Synonyms | [(4-amino-3-ethyl-5-methylphenyl)sulfanyl]formonitrile,
4-amino-3-ethyl-5-methylphenyl thiocyanate,
730950-96-6,
AC1Q2SVR,
AC1M5K7W,
MLS000760308,
CHEMBL1586059,
CTK7D0827,
HMS2771J15,
ZINC3210846,
AKOS001042433,
MCULE-2727200365,
NE11616,
SMR000373031,
(4-amino-3-ethyl-5-methylphenyl) thiocyanate,
EN300-08623,
Z56943673,
ZINC03210846,
CID2330514,
|
| Complexity | 208 |
| 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 | 2 |
| Topological Polar Surface Area | 75.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number