pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate

Substructure search Find similar structures

Basic information

CAS: 66528-36-7
Standard SMILES: CCCCCSC(=S)N(C)NC(=O)c1ccccn1
InChIKey: CUCGVXREABKSOH-UHFFFAOYSA-N
Molecular formula: C13H19N3OS2
Average molar mass: 297.4 g/mol
Monoisotopic mass: 297.09695459

Names & identifiers

Preferred name: pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate
IUPAC: pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate

Names & synonyms

NSC316174pentyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioate66528-36-7CHEMBL3277737DTXSID90317477NSC-316174Pentyl 1-methyl-2-(pyridin-2-ylcarbonyl)hydrazinecarbodithioatePentyl 1-methyl-2-(pyridine-2-carbonyl)hydrazine-1-carbodithioate

Database identifiers

CAS: 66528-36-7
PubChem CID: 330142
DTXSID: DTXSID90317477
ChEMBL: CHEMBL3277737

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 103 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 300

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…