1,1-Diethyl-3-(1-pyridin-2-ylethylamino)thiourea
Basic information
- CAS
99616-25-8- Standard SMILES
CCN(CC)C(=S)NNC(C)c1ccccn1- InChIKey
KISVMYPSSWVPOK-UHFFFAOYSA-N- Molecular formula
- C12H20N4S
- Average molar mass
- 252.38 g/mol
- Monoisotopic mass
- 252.14086783
Names & identifiers
- Preferred name
- 1,1-Diethyl-3-(1-pyridin-2-ylethylamino)thiourea
- IUPAC
- 1,1-diethyl-3-(1-pyridin-2-ylethylamino)thiourea
Names & synonyms
99616-25-81,1-diethyl-3-(1-pyridin-2-ylethylamino)thioureaDTXSID40912592N,N-Diethyl-N'-[1-(pyridin-2-yl)ethyl]carbamohydrazonothioic acid
Database identifiers
- CAS
99616-25-8- PubChem CID
- 3037583
- DTXSID
DTXSID40912592- Nikkaji
- J372.905B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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