Basic information
- CAS
247181-70-0- Standard SMILES
O=c1oc2ccccc2n1CSC1=NCCS1- InChIKey
UXIVMKYPOVSJEH-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2S2
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.01836991
Names & identifiers
- Preferred name
- 3-(4,5-Dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1,3-benzoxazol-2-one
- IUPAC
- 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1,3-benzoxazol-2-one
- English name
- 3-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1,3-benzoxazol-2(3H)-one
- Molecular formula
- C11H10N2O2S2
- Molecular weight
- 266.34
Names & synonyms
247181-70-03-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1,3-benzoxazol-2-one3-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1,3-benzoxazol-2(3H)-oneSMR000009463Oprea1_557497Oprea1_713641MLS000077339CHEMBL1535720HMS2278K243-(4,5-Dihydro-thiazol-2-ylsulfanylmethyl)-3H-benzooxazol-2-oneSTK834159AKOS000510951
Show more names
2(3H)-Benzoxazolone, 3-[[(4,5-dihydro-2-thiazolyl)thio]methyl]-
EU-0002580AG-690/37123140SR-01000410137SR-01000410137-13-(((4,5-dihydrothiazol-2-yl)thio)methyl)benzo[d]oxazol-2(3H)-one
Database identifiers
- CAS
247181-70-0- PubChem CID
- 645679
- ChEMBL
CHEMBL1535720
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 424.3 · 424.3±47.0 °C(Predicted)
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- 3.5 · 3.50±0.10(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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