Thiourea, N-((1-ethyl-1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)-N'-(1-methylethyl)-
Basic information
- CAS
100650-70-2- Standard SMILES
CCn1cnc2c1CCOC2CNC(=S)NC(C)C- InChIKey
ABEBSRUJUCWWEX-UHFFFAOYSA-N- Molecular formula
- C13H22N4OS
- Average molar mass
- 282.41 g/mol
- Monoisotopic mass
- 282.15143251
Names & identifiers
- Preferred name
- Thiourea, N-((1-ethyl-1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)-N'-(1-methylethyl)-
- IUPAC
- 1-[(1-ethyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-4-yl)methyl]-3-propan-2-ylthiourea
Names & synonyms
N-((1-Ethyl-1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)-N'-(1-ethylethyl)thiourea100650-70-21-Ethyl-4(N-isopropylthiocarbamoylaminomethyl)-1,4,6,7-tetrahydro-1H-pyrano(3,4-d)imidazoleThiourea, N-((1-ethyl-1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)-N'-(1-methylethyl)-RefChem:385424DTXSID50905652N'-[(1-Ethyl-1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]-N-(propan-2-yl)carbamimidothioic acidN'-[(1-Ethyl-1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]-N-propan-2-ylcarbamimidothioic acid
Database identifiers
- CAS
100650-70-2- PubChem CID
- 3063386
- DTXSID
DTXSID50905652
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…