7-(hydroxymethyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Basic information
- CAS
926257-63-8- Standard SMILES
Cc1csc2nc(CO)cc(=O)n12- InChIKey
CFFHJFDYYKPWHN-UHFFFAOYSA-N- Molecular formula
- C8H8N2O2S
- Average molar mass
- 196.23 g/mol
- Monoisotopic mass
- 196.03064868
Names & identifiers
- Preferred name
- 7-(hydroxymethyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
- IUPAC
- 7-(hydroxymethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
- English name
- 7-(HYDROXYMETHYL)-3-METHYL-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDIN-5-ONE
- Molecular formula
- C8H8N2O2S
- Molecular weight
- 196.23
Names & synonyms
7-(hydroxymethyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one926257-63-87-(hydroxymethyl)-3-methyl-5H-(1,3)thiazolo(3,2-a)pyrimidin-5-oneRefChem:545240982-197-17-(hydroxymethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-oneAKOS000126032CS-0249663EN300-44273G58484AB00987539-017-(hydroxymethyl)-3-methyl-thiazolo[3,2-a]pyrimidin-5-one
Show more names
5H-Thiazolo[3,2-a]pyrimidin-5-one, 7-(hydroxymethyl)-3-methyl-
Database identifiers
- CAS
926257-63-8- PubChem CID
- 16769741
- EC Number
- 982-197-1
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Boiling point
- 383.3 · 383.3±34.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- pka
- 15.04 · 15.04±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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