chempirical

Methyl 1-(mercaptomethyl)cyclopropaneacetate

C7H12O2SCAS 152922-73-1160.23 g/mol

Open in Covalent MOL file
OOSH
EsterThiol

Properties

Molecular formula
C7H12O2S
Molar mass
160.23 g/mol
Exact mass
160.0558 Da
logP
1.26Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
152922-73-1
SMILES
COC(=O)CC1(CS)CC1
InChIKey
JRHLVNAWLWIHDN-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O2S/c1-9-6(8)4-7(5-10)2-3-7/h10H,2-5H2,1H3

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Names and synonyms

4 names
  • Cyclopropaneacetic acid, 1-(mercaptomethyl)-, methyl ester
  • Methyl 2-[1-(mercaptomethyl)cyclopropyl]acetate
  • Methyl [1-(Mercaptomethyl)cyclopropyl]acetate
  • 1-(Mercaptomethyl)cyclopropaneacetic acid methyl ester

Work with Methyl 1-(mercaptomethyl)cyclopropaneacetate

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

Methyl thioglycolate2365-48-248 % similar 1-(Mercaptomethyl)cyclopropaneacetic acid162515-68-647 % similar Methyl 3-mercaptopropionate2935-90-245 % similar Trimethyl citrate1587-20-844 % similar Dimethyl succinate106-65-043 % similar Dimethyl malonate108-59-843 % similar Methyl 3,3-dimethyl-4-pentenoate63721-05-142 % similar Dimethyl glutarate1119-40-041 % similar

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

Elsewhere

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