| CAS Number | 1019441-76-9 |
| Catalog Number | AG01AAC8(AGN-PC-0WOCW0) |
| Chemical Name | 3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)aniline |
| IUPAC Name | 3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)aniline |
| InChI | InChI=1S/C8H6ClN3S2/c9-6-3-5(10)1-2-7(6)14-8-12-11-4-13-8/h1-4H,10H2 |
| InChI Key | QUOZQXMRUXRXAR-UHFFFAOYSA-N |
| MDL Number | MFCD11132428 |
| Molecular Formula | C8H6ClN3S2 |
| Molecular Weight | 243.7363 |
| SMILES | NC1=CC(Cl)=C(SC2SC=NN=2)C=C1 |
| Synonyms | 3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)aniline,
1019441-76-9,
AC1Q51MU,
ZINC19845678,
AKOS000215403,
MCULE-5073074680,
NE14957,
EN300-68189,
Z1263602398,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.727g/mol |
| Monoisotopic Mass | 242.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number