N'-cyano-N-[2-[[5-[(dimethylamino)methyl]-2-furanylmethyl]thio]ethyl]carbamimidothioic acid, methyl ester
Basic information
- Standard SMILES
CSC(=NCCSCc1ccc(CN(C)C)o1)NC#N- InChIKey
MYZRBZJVCYSTST-UHFFFAOYSA-N- Molecular formula
- C13H20N4OS2
- Average molar mass
- 312.5 g/mol
Names & identifiers
- Preferred name
- N'-cyano-N-[2-[[5-[(dimethylamino)methyl]-2-furanylmethyl]thio]ethyl]carbamimidothioic acid, methyl ester
- IUPAC
- methyl N-cyano-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]carbamimidothioate
Names & synonyms
SCHEMBL10672163SCHEMBL10672166SCHEMBL10731571SCHEMBL11244881MYZRBZJVCYSTST-UHFFFAOYSA-NN'-cyano-N-[2-[[[5-(dimethylamino)methyl-2-furanyl]methyl]thio]ethyl]carbamimidothioic acid, methyl esterN'-cyano-N-[2-[[5-[(dimethylamino)methyl]-2-furanylmethyl]thio]ethyl]carbamimidothioic acid, methyl esterN-cyano-N'-[2-[[[5-(dimethylamino) methyl-2-furanyl]methyl]thio]ethyl]carbamimidothioic acid, methyl esterN-cyano-N'-[2-[[[5-(dimethylamino)methyl-2-furanyl]-methyl]thio]ethyl]-S-methyl-isothioureaN-cyano-N'-[2-[[[5-(dimethylamino)methyl-2-furanyl]methyl]thio]ethyl]carbamimidothioic acid, methyl ester
Database identifiers
- PubChem CID
- 13486641
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 354
Related reactions
6 records
Compound notes
Loading…