| CAS Number | 303147-71-9 |
| Catalog Number | AG00IPKT(AGN-PC-0WAQ8S) |
| Chemical Name | 5-Amino-2-[(4-chlorophenyl)sulfanyl]benzenecarbonitrile |
| IUPAC Name | 5-amino-2-(4-chlorophenyl)sulfanylbenzonitrile |
| InChI | InChI=1S/C13H9ClN2S/c14-10-1-4-12(5-2-10)17-13-6-3-11(16)7-9(13)8-15/h1-7H,16H2 |
| InChI Key | RXFCFVUSGXCZPN-UHFFFAOYSA-N |
| MDL Number | MFCD00793495 |
| Molecular Formula | C13H9ClN2S |
| Molecular Weight | 260.7420 |
| SMILES | ClC2(=CC=C(SC1(=C(C#N)C=C(N)C=C1))C=C2) |
| Synonyms | 5-amino-2-[(4-chlorophenyl)sulfanyl]benzenecarbonitrile,
303147-71-9,
5-amino-2-(4-chlorophenylthio)benzonitrile,
5-amino-2-[(4-chlorophenyl)sulfanyl]benzonitrile,
5-AMINO-2-((4-CHLOROPHENYL)SULFANYL)BENZENECARBONITRILE,
SMR000170157,
AC1LSUS0,
Oprea1_399262,
MLS000325995,
CHEMBL1561692,
HMS2298F22,
KS-00001RV6,
ZINC1383081,
MFCD00793495,
AKOS005078105,
MCULE-6864121014,
11K-616S,
ZB016506,
5-amino-2-(4-chlorophenyl)sulfanylbenzonitrile,
CID1471783,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.739g/mol |
| Monoisotopic Mass | 260.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number