Basic information
- CAS
13522-55-9- Standard SMILES
CN(C)C(=S)Oc1ccccn1- InChIKey
TWEBPUXXPKPWQT-UHFFFAOYSA-N- Molecular formula
- C8H10N2OS
- Average molar mass
- 182.25 g/mol
- Monoisotopic mass
- 182.05138412
Names & identifiers
- Preferred name
- O-pyridin-2-yl N,N-dimethylcarbamothioate
- IUPAC
- O-pyridin-2-yl N,N-dimethylcarbamothioate
Names & synonyms
13522-55-9O-pyridin-2-yl N,N-dimethylcarbamothioateNSC171485DTXSID30305696NSC-171485O-(Pyridin-2-yl) dimethylcarbamothioate
Database identifiers
- CAS
13522-55-9- PubChem CID
- 299042
- DTXSID
DTXSID30305696
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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