Basic information
- CAS
3269-79-2- Standard SMILES
Cc1ncsc1CCOP(=O)(O)O- InChIKey
OCYMERZCMYJQQO-UHFFFAOYSA-N- Molecular formula
- C6H10NO4PS
- Average molar mass
- 223.19 g/mol
- Monoisotopic mass
- 223.00681597
Overview
4-methyl-5-(2-phosphonooxyethyl)thiazole is a monoalkyl phosphate and a member of 1,3-thiazoles. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a 4-methyl-5-(2-phosphonatooxyethyl)thiazole(2-).
Names & identifiers
- Preferred name
- 4-Methyl-5-Hydroxyethylthiazole Phosphate
- IUPAC
- 2-(4-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate
- English name
- 4-methyl-5-(2-phosphonooxyethyl)thiazole
- Molecular formula
- C6H10NO4PS
- Molecular weight
- 223.186661
Names & synonyms
4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOSPHATERefChem:5253442-(4-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate4-methyl-5-(2-phosphonooxyethyl)thiazole3269-79-2NIOSH/XJ46733004-Methyl-5-thiazoleethanol phosphate5-Thiazoleethanol, 4-methyl-, phosphateXJ46733000HET-P4-Methyl-5-(2-phosphorylethyl)thiazole4-Methyl-5-(2-phosphooxyethyl)thiazole
Show more names
4-Methyl-5-(2-phosphono-oxyethyl)-thiazoleSCHEMBL459428CHEBI:17857DTXSID701209634DB03145PD007347NS000685365-(2-hydroxyethyl)-4-methylthiazole phosphate
Database identifiers
- CAS
3269-79-2- PubChem CID
- 1137
- DTXSID
DTXSID701209634- ChEBI
CHEBI:17857- Nikkaji
- J870.164D
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 209
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Chemistry & industry
Applications
Uses4-Methyl-5-(2-phosphorylethyl)thiazole was used in the biosynthetic prepn. of 4-Methyl-5-(β-hydroxyethyl) thiazole phosphate using Bacillus subtilis proteins.
Suppliers1 total
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Additional notes
DefinitionChEBI: 4-methyl-5-(2-phosphonooxyethyl)thiazole is a monoalkyl phosphate and a member of 1,3-thiazoles. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a 4-methyl-5-(2-phosphonatooxyethyl)thiazole(2-).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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