Basic information
- CAS
53449-50-6- Standard SMILES
S=c1nc[nH]c2c1ccc1[nH]cnc12- InChIKey
OQALTNOHDWMPFI-UHFFFAOYSA-N- Molecular formula
- C9H6N4S
- Average molar mass
- 202.24 g/mol
- Monoisotopic mass
- 202.03131738
Names & identifiers
- Preferred name
- 3H-Imidazo(4,5-h)quinazoline-6-thiol
- IUPAC
- 3,9-dihydroimidazo[4,5-h]quinazoline-6-thione
Names & synonyms
3H-Imidazo(4,5-h)quinazoline-6-thiol53449-50-66J2EU6410ANSC 248557UNII-6J2EU6410ANSC-2485573H-Imidazo[4,5-h]quinazoline-6-thiolDTXSID602016121,7-DIHYDRO-6H-IMIDAZO(4,5-H)QUINAZOLINE-6-THIONE6H-IMIDAZO(4,5-H)QUINAZOLINE-6-THIONE, 1,7-DIHYDRO-RefChem:95728DTXCID90124103
Show more names
NSC248557DS-0048493,9-Dihydro-6H-imidazo[4,5-h]quinazoline-6-thione
Database identifiers
- CAS
53449-50-6- PubChem CID
- 3000699
- DTXSID
DTXSID60201612- UNII
- 6J2EU6410A
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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