Basic information
- CAS
5809-69-8- Standard SMILES
Cc1ccc(-c2nc(=S)c3c(n2CCCO)CCCC3)cc1- InChIKey
ZXHYCQWZQNIWRO-UHFFFAOYSA-N- Molecular formula
- C18H22N2OS
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.1452845
Names & identifiers
- Preferred name
- 1-(3-Hydroxypropyl)-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline-4-thione
- IUPAC
- 1-(3-hydroxypropyl)-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline-4-thione
Names & synonyms
392246-95-65809-69-8F0332-00481-(3-hydroxypropyl)-2-(4-methylphenyl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione1-(3-hydroxypropyl)-2-(4-methylphenyl)-5,6,7,8-tetrahydro-4(1H)-quinazolinethioneOprea1_758938DTXSID90366965HMS1649I161-(3-hydroxypropyl)-2-(p-tolyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thioneAKOS0016115141-(3-hydroxypropyl)-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline-4-thioneAF-399/13041028
Show more names
SR-01000424415SR-01000424415-11-(3-Hydroxypropyl)-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Database identifiers
- CAS
5809-69-8- PubChem CID
- 2201755
- DTXSID
DTXSID90366965
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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