| CAS Number | 727983-41-7 |
| Catalog Number | AG019J4S |
| Chemical Name | 5-chloro-2-[(2,4-dimethylphenyl)sulfanyl]aniline |
| IUPAC Name | 5-chloro-2-(2,4-dimethylphenyl)sulfanylaniline |
| InChI | InChI=1S/C14H14ClNS/c1-9-3-5-13(10(2)7-9)17-14-6-4-11(15)8-12(14)16/h3-8H,16H2,1-2H3 |
| InChI Key | UBVXYMCCJBSXIT-UHFFFAOYSA-N |
| MDL Number | MFCD04620405 |
| Molecular Formula | C14H14ClNS |
| Molecular Weight | 263.7857 |
| SMILES | CC1=CC(C)=C(SC2=C(N)C=C(Cl)C=C2)C=C1 |
| Synonyms | 5-chloro-2-[(2,4-dimethylphenyl)sulfanyl]aniline,
727983-41-7,
5-chloro-2-[(2,4-dimethylphenyl)thio]aniline,
AC1M8RLR,
AC1Q2I8K,
CTK6B6890,
ZINC3374743,
AKOS008030122,
MCULE-5446743002,
NE41028,
NCGC00329210-01,
EN300-08561,
5-chloro-2-(2,4-dimethylphenyl)sulfanylaniline,
AB01322477-02,
ZINC03374743,
CID2492454,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.783g/mol |
| Monoisotopic Mass | 263.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number