| CAS Number | 1019391-52-6 |
| Catalog Number | AG01A9D1(AGN-PC-0WO9AC) |
| Chemical Name | 3-Chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]aniline |
| IUPAC Name | 3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]aniline |
| InChI | InChI=1S/C10H9ClN2S2/c1-6-5-14-10(13-6)15-9-3-2-7(12)4-8(9)11/h2-5H,12H2,1H3 |
| InChI Key | BRIOHPWVNABADU-UHFFFAOYSA-N |
| MDL Number | MFCD11132438 |
| Molecular Formula | C10H9ClN2S2 |
| Molecular Weight | 256.7749 |
| SMILES | CC1N=C(SC2=C(Cl)C=C(N)C=C2)SC=1 |
| Synonyms | 3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]aniline,
1019391-52-6,
AC1Q2OO4,
ZINC19845688,
AKOS000214855,
MCULE-5318752936,
NE22184,
EN300-64746,
Z932544628,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.766g/mol |
| Monoisotopic Mass | 255.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number