4-Nitrophenyl 5-thiazolylmethyl carbonate

C₁₁H₈N₂O₅SCAS 144163-97-3280.25 g/mol

Open in Covalent MOL file

Carbonate Nitro

Properties

Molecular formula: C₁₁H₈N₂O₅S
Molar mass: 280.25 g/mol
Exact mass: 280.0154 Da
logP: 2.77Crippen estimate
Polar surface area: 91.6 Å²
H-bond donors / acceptors: 0 / 7
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation40% of notifiers
H319 Causes serious eye irritation40% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

Carbonic acid, 4-nitrophenyl 5-thiazolylmethyl ester
(4-Nitrophenyl) thiazol-5-ylmethyl carbonate
4-Nitrophenyl 1,3-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

Bis(4-nitrophenyl) carbonate5070-13-360 % similar Benzyl 4-nitrophenyl carbonate13795-24-960 % similar 4-Nitrophenyl 2-(trimethylsilyl)ethyl carbonate80149-80-052 % similar 4-Nitrophenyl chloroformate7693-46-144 % similar 4-Nitrophenyl acetate830-03-544 % similar Trifluoroacetic acid p-nitrophenyl ester658-78-642 % similar P-Nitrophenetole100-29-840 % similar p-Nitrophenyl palmitate1492-30-440 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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