Basic information
- CAS
3907-64-0- Standard SMILES
Cl.Cl.N=C(N)SC(CN1CCCCC1)c1ccccc1- InChIKey
JPRCDFWJUVZEKP-UHFFFAOYSA-N- Molecular formula
- C14H23Cl2N3S
- Average molar mass
- 336.3 g/mol
- Monoisotopic mass
- 335.0989743
Names & identifiers
- Preferred name
- 1-Phenyl-2-(piperidin-1-yl)ethyl carbamimidothioate--hydrogen chloride (1/2)
- IUPAC
- (1-phenyl-2-piperidin-1-ylethyl) carbamimidothioate;dihydrochloride
Names & synonyms
3907-64-0DTXSID109598931-Phenyl-2-(piperidin-1-yl)ethyl carbamimidothioate--hydrogen chloride (1/2)RefChem:1056298DTXCID501387765Carbamimidothioic acid, 1-phenyl-2-(1-piperidinyl)ethyl ester, dihydrochloride
Database identifiers
- CAS
3907-64-0- PubChem CID
- 199261
- DTXSID
DTXSID10959893
Properties
Computed structural properties
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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