Thiourea, N-(1-methylethyl)-N'-((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)
Basic information
- CAS
100650-67-7- Standard SMILES
CC(C)NC(=S)NCC1(S)OC(S)=C(S)c2c1ncn2S- InChIKey
LLOSKTXZQWXKHU-UHFFFAOYSA-N- Molecular formula
- C11H16N4OS5
- Average molar mass
- 380.6 g/mol
- Monoisotopic mass
- 379.99276701
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-tetrakis(sulfanyl)pyrano[3,4-d]imidazol-4-yl]methyl]thiourea
Names & synonyms
4-(N-Isopropylthiocarbamoylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-thiopyrano(3,4-d)imidazole100650-67-7Thiourea, N-(1-methylethyl)-N'-((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)RefChem:385431DTXSID30905650N'-{[1,4-Bis(sulfanyl)-6,7-bis(sulfanyl)-1,4-dihydropyrano[3,4-d]imidazol-4-yl]methyl}-N-(propan-2-yl)carbamimidothioic acidN'-{[1,4-Bis(sulfanyl)-6,7-bis(sulfanyl)-1,4-dihydropyrano[3,4-d]imidazol-4-yl]methyl}-N-propan-2-ylcarbamimidothioic acid
Database identifiers
- CAS
100650-67-7- PubChem CID
- 3063383
- DTXSID
DTXSID30905650
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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