| CAS Number | 78852-50-3 |
| Catalog Number | AG00G9C5(AGN-PC-0WAQVZ) |
| Chemical Name | Ethyl N-(((5-chloro-2-pyridinyl)amino)carbothioyl)carbamate |
| IUPAC Name | ethyl N-[(5-chloropyridin-2-yl)carbamothioyl]carbamate |
| InChI | InChI=1S/C9H10ClN3O2S/c1-2-15-9(14)13-8(16)12-7-4-3-6(10)5-11-7/h3-5H,2H2,1H3,(H2,11,12,13,14,16) |
| InChI Key | SUDFDUAHBQUCKX-UHFFFAOYSA-N |
| MDL Number | MFCD01833204 |
| Molecular Formula | C9H10ClN3O2S |
| Molecular Weight | 259.7126 |
| SMILES | ClC1(=CN=C(NC(=S)NC(=O)OCC)C=C1) |
| Synonyms | 78852-50-3,
Ethyl N-(((5-chloro-2-pyridinyl)amino)carbothioyl)carbamate,
ethyl N-{[(5-chloro-2-pyridinyl)amino]carbothioyl}carbamate,
ethyl [(5-chloro-2-pyridinyl)amino]carbothioylcarbamate,
ethyl N-[(5-chloropyridin-2-yl)carbamothioyl]carbamate,
SUDFDUAHBQUCKX-UHFFFAOYSA-N,
AC1MCGD0,
Ethyl [(5-chloropyridin-2-yl)carbamothioyl]carbamate,
SCHEMBL15434433,
KS-00001SQN,
ZINC4059949,
AKOS005080485,
MCULE-8770730925,
12J-530S,
Z-8679,
AI-204/31755009,
SR-01000307983,
SR-01000307983-1,
ZINC04059949,
CID2768988,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.708g/mol |
| Monoisotopic Mass | 259.018g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number