N,N-dimethyl-1,3-dithiane-2-carboxamide

HCID 319239

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Basic information

CAS: 51102-76-2
Standard SMILES: CN(C)C(=O)C1SCCCS1
InChIKey: ZLAMXDKMCOWUPV-UHFFFAOYSA-N
Molecular formula: C7H13NOS2
Average molar mass: 191.3 g/mol
Monoisotopic mass: 191.04385639

Names & identifiers

Preferred name: N,N-dimethyl-1,3-dithiane-2-carboxamide
IUPAC: N,N-dimethyl-1,3-dithiane-2-carboxamide

Names & synonyms

N,N-dimethyl-1,3-dithiane-2-carboxamide51102-76-2DTXSID303127641,3-dithiane-2-carboxamide, N,N-dimethyl-RefChem:359158DTXCID30263888InChI=1/C7H13NOS2/c1-8(2)6(9)7-10-4-3-5-11-7/h7H,3-5H2,1-2HNSC261549NSC-261549

Database identifiers

CAS: 51102-76-2
PubChem CID: 319239
DTXSID: DTXSID30312764

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 70.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 143

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