2-[1-Cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile

HCID 329705

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 58842-47-0
Standard SMILES: CSC(SC)=C(C#N)c1nc(SC)c(C#N)c(SC)n1
InChIKey: GBZPDRQSADYUAV-UHFFFAOYSA-N
Molecular formula: C12H12N4S4
Average molar mass: 340.5 g/mol
Monoisotopic mass: 339.99448109

Names & identifiers

Preferred name: 2-[1-Cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
IUPAC: 2-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile

Names & synonyms

58842-47-0NSC3140012-[1-cyano-2,2-bis(methylsulfanyl)ethenyl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrileDTXSID80317284NSC-3140012-[1-Cyano-2,2-bis(methylsulfanyl)ethen-1-yl]-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile

Database identifiers

CAS: 58842-47-0
PubChem CID: 329705
DTXSID: DTXSID80317284

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 175 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 441

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…