chempirical

4-Nitrophenyl 5-thiazolylmethyl carbonate

C11H8N2O5SCAS 144163-97-3280.25 g/mol

Open in Covalent MOL file
OONSON+OO−
CarbonateNitro

Properties

Molecular formula
C11H8N2O5S
Molar mass
280.25 g/mol
Exact mass
280.0154 Da
logP
2.77Crippen estimate
Polar surface area
91.6 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
4

Identifiers

CAS number
144163-97-3
SMILES
O=C(OCc1cncs1)Oc1ccc([N+](=O)[O-])cc1
InChIKey
FTEKBGGQRNJIPQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H8N2O5S/c14-11(17-6-10-5-12-7-19-10)18-9-3-1-8(2-4-9)13(15)16/h1-5,7H,6H2

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Names and synonyms

2 names
  • Carbonic acid, 4-nitrophenyl 5-thiazolylmethyl ester
  • (4-Nitrophenyl) thiazol-5-ylmethyl carbonate

Work with 4-Nitrophenyl 5-thiazolylmethyl carbonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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