N-(5-Chloropyridin-2-yl)-N'-methylthiourea
Basic information
- CAS
59180-93-7- Standard SMILES
CNC(=S)Nc1ccc(Cl)cn1- InChIKey
KOPWVUCCKATNQI-UHFFFAOYSA-N- Molecular formula
- C7H8ClN3S
- Average molar mass
- 201.68 g/mol
- Monoisotopic mass
- 201.0127461
Names & identifiers
- Preferred name
- N-(5-Chloropyridin-2-yl)-N'-methylthiourea
- IUPAC
- 1-(5-chloro-2-pyridinyl)-3-methylthiourea
Names & synonyms
59180-93-7N-(5-Chloropyridin-2-yl)-N'-methylthioureaDTXSID90599195AKOS003721446ST51039309[(5-chloro(2-pyridyl))amino](methylamino)methane-1-thione
Database identifiers
- CAS
59180-93-7- PubChem CID
- 19686293
- DTXSID
DTXSID90599195
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
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Compound notes
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