Guanidine, N-cyano-Na(2)-methyl-Na(2)a(2)-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-, (2Z)-2-butenedioate
Basic information
- CAS
116993-65-8- Standard SMILES
CN=C(NC#N)NCCSCc1nc[nH]c1C.O=C(O)/C=C\C(=O)O- InChIKey
ANABGPRGJWKWGW-BTJKTKAUSA-N- Molecular formula
- C14H20N6O4S
- Average molar mass
- 368.41 g/mol
- Monoisotopic mass
- 368.12667431
Names & identifiers
- Preferred name
- Guanidine, N-cyano-Na(2)-methyl-Na(2)a(2)-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-, (2Z)-2-butenedioate
- IUPAC
- (Z)-but-2-enedioic acid;1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
Names & synonyms
DTXSID401378088116993-65-8Guanidine, N-cyano-Na(2)-methyl-Na(2)a(2)-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-, (2Z)-2-butenedioate
Database identifiers
- CAS
116993-65-8- PubChem CID
- 177844331
- DTXSID
DTXSID401378088
Properties
Computed structural properties
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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