| CAS Number | 125117-97-7 |
| Catalog Number | AG000N7W(AGN-PC-082NW6) |
| Chemical Name | (6-Chloropyridin-3-yl)thiourea |
| IUPAC Name | (6-chloropyridin-3-yl)thiourea |
| InChI | InChI=1S/C6H6ClN3S/c7-5-2-1-4(3-9-5)10-6(8)11/h1-3H,(H3,8,10,11) |
| InChI Key | KQNRFXLAUHMUSH-UHFFFAOYSA-N |
| MDL Number | MFCD30571596 |
| Molecular Formula | C6H6ClN3S |
| Molecular Weight | 187.6499 |
| SMILES | NC(NC1=CN=C(Cl)C=C1)=S |
| Synonyms | (6-chloropyridin-3-yl)thiourea,
125117-97-7,
Thiourea, N-(6-chloro-3-pyridinyl)-,
Thiourea, (6-chloro-3-pyridinyl)-,
MFCD15525455,
ACMC-20mrda,
2-chloro-5pyridylthiourea,
AC1Q503H,
SCHEMBL2396561,
CTK0C2431,
DTXSID60677636,
N-(6-Chloro-3-pyridyl)thiourea,
KQNRFXLAUHMUSH-UHFFFAOYSA-N,
n-(6-chloropyridin-3-yl)thiourea,
(6-chloro-pyridin-3-yl)-thiourea,
ZINC57218464,
NE27576,
SC-64766,
EN300-65771,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.645g/mol |
| Monoisotopic Mass | 186.997g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number