Carbamic acid, [[4,5-dihydro-4-(2-propenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-, 1,1-dimethylethyl ester

C11H18N4O2SCAS 306935-46-6270.35 g/mol

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NSHNNNHOO
AlkeneThiol

Properties

Molecular formula
C11H18N4O2S
Molar mass
270.35 g/mol
Exact mass
270.1150 Da
logP
1.98Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
306935-46-6
SMILES
C=CCn1c(S)nnc1CN=C(O)OC(C)(C)C
InChIKey
FTCUGLKYNJDLTP-UHFFFAOYSA-N
InChI
InChI=1S/C11H18N4O2S/c1-5-6-15-8(13-14-9(15)18)7-12-10(16)17-11(2,3)4/h5H,1,6-7H2,2-4H3,(H,12,16)(H,14,18)

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Work with Carbamic acid, [[4,5-dihydro-4-(2-propenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-, 1,1-dimethylethyl ester

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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

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