| CAS Number | 1124383-00-1 |
| Catalog Number | AG0095NE(AGN-PC-0WG3OO) |
| Chemical Name | ethyl N-[(3-bromopyridin-2-yl)carbamothioyl]carbamate |
| IUPAC Name | ethyl N-[(3-bromopyridin-2-yl)carbamothioyl]carbamate |
| InChI | InChI=1S/C9H10BrN3O2S/c1-2-15-9(14)13-8(16)12-7-6(10)4-3-5-11-7/h3-5H,2H2,1H3,(H2,11,12,13,14,16) |
| InChI Key | KIEUKZNLWJFVON-UHFFFAOYSA-N |
| MDL Number | MFCD28137627 |
| Molecular Formula | C9H10BrN3O2S |
| Molecular Weight | 304.1636 |
| SMILES | CCOC(=O)NC(=S)Nc1ncccc1Br |
| Synonyms | ETHYL AMINON-(3-BROMOPYRIDIN-2-YL)METHANETHIOCARBAMATE,
1124383-00-1,
SCHEMBL1691036,
KIEUKZNLWJFVON-UHFFFAOYSA-N,
MFCD28137627,
ZINC116863361,
CS-0037372,
FT-0722634,
ethyl[(3-bromopyridin-2-yl)carbamothioyl]carbamate,
N-(3-Bromo-2-pyridinyl)-N'-carboethoxy-thiourea,
ethyl [(3-bromopyridin-2-yl)carbamothioyl]carbamate,
ethyl[(3-bromopyridin-2-yl) carbamothioyl]carbamate,
ethyl [(3-bromopyridin-2-yl) carbamothioyl]carbamate,
N-(3-bromo-pyridin-2-yl)-N'-ethoxycarbonyl-thiourea,
ethyl {[(3-bromopyridin-2-yl)amino]carbonothioyl}carbamate,
Carbamic acid, N-[[(3-bromo-2-pyridinyl)amino]thioxomethyl]-, ethyl ester,
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| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.162g/mol |
| Monoisotopic Mass | 302.968g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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