(3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile

HCID 757264

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Basic information

CAS: 1217618-95-5
Standard SMILES: CC[C@]1(C)Cc2c(C#N)c(N)sc(=S)c2CO1
InChIKey: DWOZBVPZDFQNFG-GFCCVEGCSA-N
Molecular formula: C12H14N2OS2
Average molar mass: 266.4 g/mol
Monoisotopic mass: 266.05475542

Names & identifiers

Preferred name: (3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile
IUPAC: (3R)-6-amino-3-ethyl-3-methyl-8-sulfanylidene-1,4-dihydrothiopyrano[3,4-c]pyran-5-carbonitrile

Names & synonyms

DTXSID001118620STK830658AKOS005608848(3R)-6-amino-3-ethyl-3-methyl-8-thioxo-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile1217618-95-5(3R)-6-Amino-3-ethyl-3-methyl-8-sulfanylidene-4,8-dihydro-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile(3R)-6-Amino-3-ethyl-4,8-dihydro-3-methyl-8-thioxo-1H,3H-thiopyrano[3,4-c]pyran-5-carbonitrile

Database identifiers

CAS: 1217618-95-5
PubChem CID: 757264
DTXSID: DTXSID001118620

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 116 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 498

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