| CAS Number | 1019121-58-4 |
| Catalog Number | AG01A847(AGN-PC-0WOD18) |
| Chemical Name | 3-Chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]aniline |
| IUPAC Name | 3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]aniline |
| InChI | InChI=1S/C10H9ClN2S2/c1-6-5-14-10(13-6)15-9-7(11)3-2-4-8(9)12/h2-5H,12H2,1H3 |
| InChI Key | MBFYVGNSRILWAL-UHFFFAOYSA-N |
| MDL Number | MFCD11132441 |
| Molecular Formula | C10H9ClN2S2 |
| Molecular Weight | 256.7749 |
| SMILES | CC1N=C(SC2=C(Cl)C=CC=C2N)SC=1 |
| Synonyms | 3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]aniline,
1019121-58-4,
AC1Q2OO5,
CTK6C3800,
ZINC19845691,
AKOS000214949,
MCULE-9742276035,
NE23684,
EN300-60684,
|
| 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 |
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Certificate of Analysis
Lot Number