Basic information
- CAS
332849-61-3- Standard SMILES
C=CCn1c(SCC(=C)C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2- InChIKey
CMTMFCQMZRULOU-UHFFFAOYSA-N- Molecular formula
- C24H28N2OS
- Average molar mass
- 392.6 g/mol
Names & identifiers
- Preferred name
- 2-(2-methylprop-2-enylsulfanyl)-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
- IUPAC
- 2-(2-methylprop-2-enylsulfanyl)-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
- English name
- 3-allyl-2-[(2-methyl-2-propenyl)sulfanyl]-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one
- Molecular formula
- C24H28N2OS
- Molecular weight
- 392.56
Names & synonyms
Oprea1_243860Oprea1_580122STK805052AKOS0005499772-(2-methylprop-2-enylsulfanyl)-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-oneST50255301AJ-292/12639013SR-01000481265SR-01000481265-13-allyl-2-((2-methylallyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one2-(2-methylprop-2-enylthio)-3-prop-2-enylspiro[3,5,6-trihydrobenzo[h]quinazoli ne-5,1'-cyclohexane]-4-one2-[(2-methylprop-2-en-1-yl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Show more names
Spiro[benzo[h]quinazoline-5(3H),1'-cyclohexan]-4(6H)-one, 2-[(2-methyl-2-propen-1-yl)thio]-3-(2-propen-1-yl)-
2-[(2-METHYLPROP-2-EN-1-YL)SULFANYL]-3-(PROP-2-EN-1-YL)-4,6-DIHYDRO-3H-SPIRO[BENZO[H]QUINAZOLINE-5,1'-CYCLOHEXAN]-4-ONE3-allyl-2-[(2-methyl-2-propenyl)sulfanyl]-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one3-allyl-2-[(2-methylprop-2-enyl)thio]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 729
Physicochemical properties
- Boiling point
- 540.5 · 540.5±60.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- -1.85 · -1.85±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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