Thiourea, N-(1-methylethyl)-N'-((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)-
Basic information
- CAS
100650-63-3- Standard SMILES
CC(C)NC(=S)NCC1OCCc2[nH]cnc21- InChIKey
CMLAIDPHEOSDLV-UHFFFAOYSA-N- Molecular formula
- C11H18N4OS
- Average molar mass
- 254.35 g/mol
- Monoisotopic mass
- 254.12013238
Names & identifiers
- Preferred name
- Thiourea, N-(1-methylethyl)-N'-((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)-
- IUPAC
- 1-propan-2-yl-3-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)thiourea
Names & synonyms
N-(1-Methylethyl)-N'-((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)thiourea100650-63-34-(N-Isopropylthiocarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3H)-pyrano(3,4-d)imidazoleThiourea, N-(1-methylethyl)-N'-((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)-RefChem:385432DTXSID60905648N-(Propan-2-yl)-N'-[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]carbamimidothioic acidN-Propan-2-yl-N'-[(3,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methyl]carbamimidothioic acid
Database identifiers
- CAS
100650-63-3- PubChem CID
- 3063379
- DTXSID
DTXSID60905648
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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