2H-Imidazole-2-thione, 1,3-dihydro-1-(4-methylphenyl)-4-(1,2,3,4-tetrahydroxybutyl)-, [1R-(1R*,2S*,3R*)]-
Basic information
- CAS
24916-29-8- Standard SMILES
Cc1ccc(-n2cc([C@@H](O)[C@H](O)[C@H](O)CO)[nH]c2=S)cc1- InChIKey
IDPYNHQCVYTLAJ-JHJVBQTASA-N- Molecular formula
- C14H18N2O4S
- Average molar mass
- 310.37 g/mol
- Monoisotopic mass
- 310.09872823
Names & identifiers
- Preferred name
- 2H-Imidazole-2-thione, 1,3-dihydro-1-(4-methylphenyl)-4-(1,2,3,4-tetrahydroxybutyl)-, [1R-(1R*,2S*,3R*)]-
- IUPAC
- 3-(4-methylphenyl)-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazole-2-thione
Names & synonyms
DTXSID90111090424916-29-82H-Imidazole-2-thione, 1,3-dihydro-1-(4-methylphenyl)-4-(1,2,3,4-tetrahydroxybutyl)-, [1R-(1R*,2S*,3R*)]-
Database identifiers
- CAS
24916-29-8- PubChem CID
- 165367658
- DTXSID
DTXSID901110904
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 410
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Compound notes
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