| CAS Number | 1019365-00-4 |
| Catalog Number | AG019VFU(AGN-PC-0WO3AO) |
| Chemical Name | 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]aniline |
| IUPAC Name | 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]aniline |
| InChI | InChI=1S/C10H10N2S2/c1-7-6-13-10(12-7)14-9-4-2-8(11)3-5-9/h2-6H,11H2,1H3 |
| InChI Key | RWSDQMBAKOAUAQ-UHFFFAOYSA-N |
| MDL Number | MFCD11132439 |
| Molecular Formula | C10H10N2S2 |
| Molecular Weight | 222.3298 |
| SMILES | CC1N=C(SC2=CC=C(N)C=C2)SC=1 |
| Synonyms | 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]aniline,
1019365-00-4,
AC1Q2OO8,
CTK7D7975,
ZINC19845689,
AKOS000214856,
NE17767,
EN300-45135,
AB01006789-01,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.324g/mol |
| Monoisotopic Mass | 222.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number