| CAS Number | 31545-32-1 |
| Catalog Number | AG00CJMT(AGN-PC-01X60U) |
| Chemical Name | (3,5-dichloropyridin-2-yl)thiourea |
| IUPAC Name | (3,5-dichloropyridin-2-yl)thiourea |
| InChI | InChI=1S/C6H5Cl2N3S/c7-3-1-4(8)5(10-2-3)11-6(9)12/h1-2H,(H3,9,10,11,12) |
| InChI Key | RRWWUBPSZSTRRC-UHFFFAOYSA-N |
| MDL Number | MFCD15525457 |
| Molecular Formula | C6H5Cl2N3S |
| Molecular Weight | 222.095 |
| SMILES | NC(NC1=C(Cl)C=C(Cl)C=N1)=S |
| Synonyms | 31545-32-1,
(3,5-dichloro-pyridin-2-yl)-thiourea,
MFCD15525457,
N-(3,5-Dichloro-2-pyridyl)thiourea,
1-(3,5-Dichloropyridin-2-yl)thiourea,
SCHEMBL6180147,
ZINC98073389,
SC-64770,
N-(3,5-Dichloro-2-pyridyl)thiourea, 97%,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.087g/mol |
| Monoisotopic Mass | 220.958g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number