2-(Allylsulfanyl)-4,6-dimethylquinazoline
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Basic information
- CAS
374616-66-7- Standard SMILES
C=CCSc1nc(C)c2cc(C)ccc2n1- InChIKey
VPWKYMLVQSULOB-UHFFFAOYSA-N- Molecular formula
- C13H14N2S
- Average molar mass
- 230.33 g/mol
Names & identifiers
- Preferred name
- 2-(Allylsulfanyl)-4,6-dimethylquinazoline
- IUPAC
- 4,6-dimethyl-2-prop-2-enylsulfanylquinazoline
- English name
- 2-(allylsulfanyl)-4,6-dimethylquinazoline
- Molecular formula
- C13H14N2S
- Molecular weight
- 230.33
Names & synonyms
2-(allylsulfanyl)-4,6-dimethylquinazoline374616-66-74,6-dimethyl-2-(prop-2-en-1-ylsulfanyl)quinazoline4,6-dimethyl-2-prop-2-enylsulfanylquinazoline2-Allylsulfanyl-4,6-dimethyl-quinazolineCambridge id 6111479STK081975AKOS0006219692-(allylthio)-4,6-dimethylquinazolineCCG-1078124,6-dimethyl-2-prop-2-enylthioquinazolineEU-0006754
Show more names
Quinazoline, 4,6-dimethyl-2-(2-propen-1-ylthio)-
ST50104152AB00102662-01AJ-292/14597021SR-01000450401SR-01000450401-1
Database identifiers
- CAS
374616-66-7
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 56 · 56-57 °C(Solv: methanol (67-56-1))
- Boiling point
- 387.8 · 387.8±52.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 1.69 · 1.69±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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