chempirical

1-(Mercaptomethyl)cyclopropaneacetic acid

C6H10O2SCAS 162515-68-6146.20 g/mol

Open in Covalent MOL file
OOHSH
Carboxylic acidThiol

Properties

Molecular formula
C6H10O2S
Molar mass
146.20 g/mol
Exact mass
146.0402 Da
logP
1.17Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
162515-68-6
SMILES
O=C(O)CC1(CS)CC1
InChIKey
VFAXPOVKNPTBTM-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O2S/c7-5(8)3-6(4-9)1-2-6/h9H,1-4H2,(H,7,8)

Weigh it out

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

Names and synonyms

4 names
  • Cyclopropaneacetic acid, 1-(mercaptomethyl)-
  • [1-(Mercaptomethyl)cyclopropyl]acetic acid
  • 1-(Sulfanylmethyl)cyclopropaneacetic acid
  • 2-[1-(Sulfanylmethyl)cyclopropyl]acetic acid

Work with 1-(Mercaptomethyl)cyclopropaneacetic acid

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

1,1-Cyclopentanediacetic acid16713-66-958 % similar 1,1-Cyclohexanediacetic acid4355-11-756 % similar 3,3-Dimethylbutanoic acid1070-83-348 % similar 1-Adamantaneacetic acid4942-47-647 % similar 1,1-Cyclohexanediacetic acid monoamide99189-60-344 % similar 1,3-Adamantanediacetic acid17768-28-444 % similar 3,3-Dimethylglutaric acid4839-46-743 % similar 3-Hydroxy-3-methylglutaric acid503-49-140 % similar

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

Elsewhere

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