| CAS Number | 875160-23-9 |
| Catalog Number | AG019PI6 |
| Chemical Name | N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide |
| IUPAC Name | N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide |
| InChI | InChI=1S/C11H10ClN3OS/c12-6-9-14-15-11(17-9)10(16)13-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,16) |
| InChI Key | MMJOGMFEHYNOHX-UHFFFAOYSA-N |
| MDL Number | MFCD07838480 |
| Molecular Formula | C11H10ClN3OS |
| Molecular Weight | 267.7346 |
| SMILES | ClCC1SC(C(NCC2=CC=CC=C2)=O)=NN=1 |
| Synonyms | N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide,
875160-23-9,
AC1PG85G,
AC1Q3U5Y,
CTK6H7085,
ZINC7779453,
AKOS023553177,
MCULE-1945075602,
NE13737,
EN300-23755,
ZINC07779453,
CID8893253,
1,3,4-Thiadiazole-2-carboxamide, 5-(chloromethyl)-N-(phenylmethyl),
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.731g/mol |
| Monoisotopic Mass | 267.023g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number