Basic information
- CAS
38221-49-7- Standard SMILES
CN(C)C(=S)SCNC(=O)c1ccncc1- InChIKey
JLSQCKFMTNAJKA-UHFFFAOYSA-N- Molecular formula
- C10H13N3OS2
- Average molar mass
- 255.4 g/mol
- Monoisotopic mass
- 255.05000439
Names & identifiers
- Preferred name
- Carbamic acid, dimethyldithio-, isonicotinamidomethyl ester
- IUPAC
- (pyridine-4-carbonylamino)methyl N,N-dimethylcarbamodithioate
Names & synonyms
38221-49-7BRN 0659053CARBAMIC ACID, DIMETHYLDITHIO-, ISONICOTINAMIDOMETHYL ESTERDimethyldithiocarbamic acid isonicotinamidomethyl esterDTXSID70191611N,N-Dimethyl-dithiocarbamidsaeure-((isonicotinoyl-amino)-methyl)-ester [German]N,N-Dimethyl-dithiocarbamidsaeure-((isonicotinoyl-amino)-methyl)-esterRefChem:332417DTXCID10114102(Pyridine-4-carboxamido)methyl dimethylcarbamodithioate
Database identifiers
- CAS
38221-49-7- PubChem CID
- 37979
- DTXSID
DTXSID70191611
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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