O-5,6,7,8-Tetrahydro-2-naphtylthiochloroformate

C₁₁H₁₁ClOSCAS 84995-63-1226.72 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₁ClOS
Molar mass: 226.72 g/mol
Exact mass: 226.0219 Da
logP: 3.47Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

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

Identifiers

CAS number

84995-63-1

SMILES

C1CCC2=C(C1)C=CC(=C2)OC(=S)Cl

InChIKey

QOEUMLCJUMABRH-UHFFFAOYSA-N

InChI

InChI=1S/C11H11ClOS/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2

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Work with O-5,6,7,8-Tetrahydro-2-naphtylthiochloroformate

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

O-p-Tolyl chlorothioformate937-63-347 % similar Phenyl chlorothionoformate1005-56-747 % similar O-(3,4,5-Trifluorophenyl) carbonochloridothioate959586-39-141 % similar Liranaftate88678-31-341 % similar 5,6,7,8-Tetrahydro-2-naphthol1125-78-636 % similar 5,6,7,8-Tetrahydro-2-naphthoic acid1131-63-134 % similar 6-Acetyltetralin774-55-034 % similar 6-Methoxy-1,2,3,4-tetrahydroisoquinoline42923-77-333 % similar

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

Elsewhere

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