| CAS Number | 1019546-78-1 |
| Catalog Number | AG00IMP9 |
| Chemical Name | 2-(cyclopropylmethoxy)pyridine-4-carbothioamide |
| IUPAC Name | 2-(cyclopropylmethoxy)pyridine-4-carbothioamide |
| InChI | InChI=1S/C10H12N2OS/c11-10(14)8-3-4-12-9(5-8)13-6-7-1-2-7/h3-5,7H,1-2,6H2,(H2,11,14) |
| InChI Key | WSGSPSNQKWDXEZ-UHFFFAOYSA-N |
| MDL Number | MFCD11136716 |
| Molecular Formula | C10H12N2OS |
| Molecular Weight | 208.2801 |
| SMILES | S=C(C1=CC(OCC2CC2)=NC=C1)N |
| Synonyms | 2-(cyclopropylmethoxy)pyridine-4-carbothioamide,
1019546-78-1,
ZINC19870839,
AKOS000221252,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.279g/mol |
| Monoisotopic Mass | 208.067g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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