Guanidine, 2-cyano-1-methyl-3-(2-(((4-methyl-4-imidazolin-5-yl)methyl)thio)ethyl)-1-nitroso-
Basic information
- CAS
77893-24-4- Standard SMILES
CC1=C(CSCCN=C(NC#N)N(C)N=O)NCN1- InChIKey
LALZBPWQJUMDSC-UHFFFAOYSA-N- Molecular formula
- C10H17N7OS
- Average molar mass
- 283.36 g/mol
- Monoisotopic mass
- 283.12152936
Names & identifiers
- Preferred name
- Guanidine, 2-cyano-1-methyl-3-(2-(((4-methyl-4-imidazolin-5-yl)methyl)thio)ethyl)-1-nitroso-
- IUPAC
- 3-cyano-1-methyl-2-[2-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-nitrosoguanidine
- English name
- Guanidine, 2-cyano-1-methyl-3-(2-(((4-methyl-4-imidazolin-5-yl)methyl) thio)ethyl)-1-nitroso-
- Molecular formula
- C10H17N7OS
- Molecular weight
- 283.35
Names & synonyms
77893-24-4Guanidine, 2-cyano-1-methyl-3-(2-(((4-methyl-4-imidazolin-5-yl)methyl)thio)ethyl)-1-nitroso-DTXSID10228511N'-CYANO-N-METHYL-N''-(2-{[(5-METHYL-2,3-DIHYDRO-1H-IMIDAZOL-4-YL)METHYL]SULFANYL}ETHYL)-N-NITROSOGUANIDINEGuanidine, 2-cyano-1-methyl-3-(2-(((4-methyl-4-imidazolin-5-yl)methyl) thio)ethyl)-1-nitroso-Guanidine, N'-cyano-N''-[2-[[(2,3-dihydro-5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-N-methyl-N-nitroso-
Database identifiers
- CAS
77893-24-4- PubChem CID
- 53805
- DTXSID
DTXSID10228511- Nikkaji
- J78.472I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- Density
- 1.2903 · 1.2903 (rough estimate)
- refractive index
- 1.74 · 1.7400 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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