| CAS Number | 1153977-31-1 |
| Catalog Number | AG019Y5A(AGN-PC-0WO3RM) |
| Chemical Name | 3-(3-Chlorophenyl)-1,2,4-thiadiazol-5-amine |
| IUPAC Name | 3-(3-chlorophenyl)-1,2,4-thiadiazol-5-amine |
| InChI | InChI=1S/C8H6ClN3S/c9-6-3-1-2-5(4-6)7-11-8(10)13-12-7/h1-4H,(H2,10,11,12) |
| InChI Key | HKUJGFWNXMTAPM-UHFFFAOYSA-N |
| MDL Number | MFCD12137236 |
| Molecular Formula | C8H6ClN3S |
| Molecular Weight | 211.6713 |
| SMILES | NC1SN=C(C2=CC(Cl)=CC=C2)N=1 |
| Synonyms | 3-(3-chlorophenyl)-1,2,4-thiadiazol-5-amine,
1153977-31-1,
AC1Q52NV,
SCHEMBL11327119,
CTK6H2510,
ZINC36753208,
AKOS008135784,
MCULE-6027600008,
NE55887,
EN300-57116,
Z1262237211,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.667g/mol |
| Monoisotopic Mass | 210.997g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number