| CAS Number | 1019390-95-4 |
| Catalog Number | AG01A8HG(AGN-PC-0WOBGV) |
| Chemical Name | 3-Chloro-4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]aniline |
| IUPAC Name | 3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]aniline |
| InChI | InChI=1S/C9H9ClN4S/c1-14-5-12-13-9(14)15-8-3-2-6(11)4-7(8)10/h2-5H,11H2,1H3 |
| InChI Key | CZSCDROOJNZEQA-UHFFFAOYSA-N |
| MDL Number | MFCD11132379 |
| Molecular Formula | C9H9ClN4S |
| Molecular Weight | 240.7126 |
| SMILES | CN1C(SC2=C(Cl)C=C(N)C=C2)=NN=C1 |
| Synonyms | 3-chloro-4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]aniline,
1019390-95-4,
AC1Q3Z3E,
ZINC19845624,
AKOS000214942,
MCULE-1528160320,
NE35116,
EN300-61623,
Z992716778,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.709g/mol |
| Monoisotopic Mass | 240.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number