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

HCID 330144

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Basic information

CAS: 66528-39-0
Standard SMILES: CCCCCCCCCSC(=S)N(C)NC(=O)c1ccccn1
InChIKey: KTUHGLRKVYGWMH-UHFFFAOYSA-N
Molecular formula: C17H27N3OS2
Average molar mass: 353.6 g/mol
Monoisotopic mass: 353.15955484

Names & identifiers

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

Names & synonyms

NSC31617666528-39-0nonyl N-methyl-N-(pyridine-2-carbonylamino)carbamodithioateCHEMBL3277741DTXSID10317479Nonyl 1-methyl-2-(pyridine-2-carbonyl)hydrazine-1-carbodithioateNSC-316176Nonyl 1-methyl-2-(pyridin-2-ylcarbonyl)hydrazinecarbodithioate

Database identifiers

CAS: 66528-39-0
PubChem CID: 330144
DTXSID: DTXSID10317479
ChEMBL: CHEMBL3277741

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 103 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 23
Formal charge: 0
Complexity: 353

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