thiazolo(3,2-a)pyrimidin-4-ium, 3-hydroxy-7-methyl-2-phenyl-, hydroxide, inner salt
Basic information
- CAS
86660-12-0- Standard SMILES
CC1=NC2=S=C(c3ccccc3)C(=O)N2C=C1- InChIKey
XDGGELZYTVWQKC-UHFFFAOYSA-N- Molecular formula
- C13H10N2OS
- Average molar mass
- 242.3 g/mol
- Monoisotopic mass
- 242.05138412
Names & identifiers
- Preferred name
- thiazolo(3,2-a)pyrimidin-4-ium, 3-hydroxy-7-methyl-2-phenyl-, hydroxide, inner salt
- IUPAC
- 7-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-3-one
- English name
- 3-Hydroxy-7-methyl-2-phenylthiazolo(3,2-a)pyrimidin-4-ium hydroxide, i nner-salt
- Molecular weight
- 0
Names & synonyms
BRN 469941686660-12-0Thiazolo(3,2-a)pyrimidin-4-ium, 3-hydroxy-7-methyl-2-phenyl-, hydroxide, inner salt3-Hydroxy-7-methyl-2-phenylthiazolo(3,2-a)pyrimidin-4-ium inner salt3-Hydroxy-7-methyl-2-phenylthiazolo(3,2-a)pyrimidin-4-ium hydroxide, inner-saltDTXSID70235741RefChem:384834DTXCID00158232AKOS001033341ST50993861Z567613537-methyl-2-phenyl-1,3-thiazolino[3,2-a]pyrimidin-3-ol
Show more names
3-Hydroxy-7-methyl-2-phenylthiazolo(3,2-a)pyrimidin-4-ium hydroxide, i nner-salt
7-Methyl-2-phenyl[1,3]thiazolo[3,2-a]pyrimidin-4-ium-3-olate
Database identifiers
- CAS
86660-12-0- PubChem CID
- 854973
- DTXSID
DTXSID70235741
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 33.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 492
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Related reactions
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Compound notes
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