(6-Amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone
Basic information
- CAS
210235-77-1- Standard SMILES
Cn1c(N)c(C(=O)c2ccccc2)cnc1=S- InChIKey
VAEFXRDLMYHPSY-UHFFFAOYSA-N- Molecular formula
- C12H11N3OS
- Average molar mass
- 245.3 g/mol
Names & identifiers
- Preferred name
- (6-Amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone
- IUPAC
- (6-amino-1-methyl-2-sulfanylidenepyrimidin-5-yl)-phenylmethanone
- English name
- (6-Amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone
- Molecular formula
- C12H11N3OS
- Molecular weight
- 245.3
Names & synonyms
210235-77-1(6-amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone(6-Amino-1-methyl-2-thioxo-1,2-dihydropyrimidin-5-yl)(phenyl)methanoneMFCD02947011(6-amino-1-methyl-2-sulfanylidenepyrimidin-5-yl)-phenylmethanone(6-amino-1-methyl-2-thioxo-1,2-dihydro-5- pyrimidinyl)(phenyl)methanone6-amino-5-benzoyl-1-methyl-1,2-dihydropyrimidine-2-thioneOprea1_563752SBB100014AKOS005069896SB58414CS-0336477
Show more names
Methanone, (6-amino-1,2-dihydro-1-methyl-2-thioxo-5-pyrimidinyl)phenyl-
2Z-0812AJ-916/14717083(6-amino-1-methyl-2-thioxo-pyrimidin-5-yl)-phenyl-methanone4-amino-3-methyl-2-thioxo(3-hydropyrimidin-5-yl) phenyl ketone
Database identifiers
- CAS
210235-77-1
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- Melting point
- 237 · 237-240°
- Boiling point
- 351.7 · 351.7±52.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 1.4 · 1.40±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Compound notes
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