5-[(4-Chlorophenyl)sulfanyl]quinazoline-2,4-Diamine
Basic information
- CAS
168910-48-3- Standard SMILES
Nc1nc(N)c2c(Sc3ccc(Cl)cc3)cccc2n1- InChIKey
AVRPDIOCAAWICH-UHFFFAOYSA-N- Molecular formula
- C14H11ClN4S
- Average molar mass
- 302.8 g/mol
- Monoisotopic mass
- 302.0392952
Names & identifiers
- Preferred name
- 5-[(4-Chlorophenyl)sulfanyl]quinazoline-2,4-Diamine
- IUPAC
- 5-(4-chlorophenyl)sulfanylquinazoline-2,4-diamine
Names & synonyms
5-[(4-Chlorophenyl)sulfanyl]quinazoline-2,4-Diamine168910-48-35-(4-chlorophenyl)sulfanylquinazoline-2,4-diamineCHEMBL3107595-((4-Chlorophenyl)thio)quinazoline-2,4-diamine5-(4-chlorophenylsulfanyl)-quinazoline-2,4-diamine5-(4-Chlorophenylthio)quinazoline-2,4-diamineOprea1_013894SCHEMBL1154447DTXSID20332739BDBM50130950DB-306229
Show more names
5-(4-Chloro-phenylsulfanyl)-quinazoline-2,4-diamineQ274618225-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine, 2d
Database identifiers
- CAS
168910-48-3- PubChem CID
- 462589
- DTXSID
DTXSID20332739- ChEMBL
CHEMBL310759- Nikkaji
- J2.018.329B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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