6-Chloropyrazine-2-carbothioamide
Basic information
- CAS
61689-61-0- Standard SMILES
NC(=S)c1cncc(Cl)n1- InChIKey
XLTDVHCRTBXMSW-UHFFFAOYSA-N- Molecular formula
- C5H4ClN3S
- Average molar mass
- 173.62 g/mol
- Monoisotopic mass
- 172.981446
Names & identifiers
- Preferred name
- 6-Chloropyrazine-2-carbothioamide
- IUPAC
- 6-chloropyrazine-2-carbothioamide
Names & synonyms
6-chloropyrazine-2-carbothioamide61689-61-0Pyrazinecarbothioamide, 6-chloro-C5H4ClN3SDTXSID10361619AKOS024283655ST069747amino(6-chloropyrazin-2-yl)methane-1-thioneCS-0355761EN300-1986704
Database identifiers
- CAS
61689-61-0- PubChem CID
- 1282525
- DTXSID
DTXSID10361619
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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