(Ethylamino)(4-ethylpiperazinyl)methane-1-thione
Basic information
- CAS
433310-46-4- Standard SMILES
CCNC(=S)N1CCN(CC)CC1- InChIKey
OPRNYLDGGCUAKJ-UHFFFAOYSA-N- Molecular formula
- C9H19N3S
- Average molar mass
- 201.33 g/mol
- Monoisotopic mass
- 201.12996879
Names & identifiers
- Preferred name
- (Ethylamino)(4-ethylpiperazinyl)methane-1-thione
- IUPAC
- N,4-diethylpiperazine-1-carbothioamide
- English name
- 1-Piperazinecarbothioamide,N,4-diethyl-(9CI)
- Molecular formula
- C9H19N3S
- Molecular weight
- 201.33
Names & synonyms
Oprea1_287585CHEMBL1619940HMS1679I14AKOS000663577N,4-diethyl-1-piperazinecarbothioamideST50276214(ethylamino)(4-ethylpiperazinyl)methane-1-thioneBRD-K02253655-001-01-41-Piperazinecarbothioamide, N,4-diethyl-1-Piperazinecarbothioamide,N,4-diethyl-(9CI)
Database identifiers
- CAS
433310-46-4- PubChem CID
- 796301
- ChEMBL
CHEMBL1619940
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…