1-Piperazinecarbodithioic acid, 4-methyl-, nicotinamidomethyl ester
Completing data — refresh the page later to see the latest
Basic information
- CAS
38221-47-5- Standard SMILES
CN1CCN(C(=S)SCNC(=O)c2cccnc2)CC1- InChIKey
WSTPMFPQCWWTMG-UHFFFAOYSA-N- Molecular formula
- C13H18N4OS2
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.09220356
Names & identifiers
- Preferred name
- 1-Piperazinecarbodithioic acid, 4-methyl-, nicotinamidomethyl ester
- IUPAC
- (pyridine-3-carbonylamino)methyl 4-methylpiperazine-1-carbodithioate
- English name
- N-[(4-methylpiperazine-1-carbothioyl)sulfanylmethyl]pyridine-3-carboxa mide
- Molecular formula
- C13H18N4OS2
- Molecular weight
- 0
Names & synonyms
38221-47-5BRN 08130231-Piperazinecarbodithioic acid, 4-methyl-, nicotinamidomethyl ester4-Methyl-1-piperazinecarbodithioic acid nicotinamidomethyl esterDTXSID101916104-Methyl-piperazin-1-carbondithionsaeure((nicotinoyl-amino)methyl)-ester [German]4-Methyl-piperazin-1-carbondithionsaeure((nicotinoyl-amino)methyl)-esterRefChem:233421DTXCID50114101(pyridine-3-carbonylamino)methyl 4-methylpiperazine-1-carbodithioateDB-223319(Pyridine-3-carboxamido)methyl 4-methylpiperazine-1-carbodithioate
Show more names
N-[(4-methylpiperazine-1-carbothioyl)sulfanylmethyl]pyridine-3-carboxa mide
Database identifiers
- CAS
38221-47-5- PubChem CID
- 217175
- DTXSID
DTXSID10191610
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…