chempirical

2-Mercapto-5-heptyloxadiazole

C9H16N2OSCAS 66473-10-7200.30 g/mol

Open in Covalent MOL file
NNSHO
Thiol

Properties

Molecular formula
C9H16N2OS
Molar mass
200.30 g/mol
Exact mass
200.0983 Da
logP
2.87Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
6

Identifiers

CAS number
66473-10-7
SMILES
CCCCCCCc1nnc(S)o1
InChIKey
XDBMHZSJUYNNQP-UHFFFAOYSA-N
InChI
InChI=1S/C9H16N2OS/c1-2-3-4-5-6-7-8-10-11-9(13)12-8/h2-7H2,1H3,(H,11,13)

Weigh it out

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

Names and synonyms

6 names
  • 1,3,4-Oxadiazole-2(3H)-thione, 5-heptyl-
  • δ2-1,3,4-Oxadiazoline-5-thione, 2-heptyl-
  • 5-Heptyl-1,3,4-oxadiazole-2(3H)-thione
  • 2-Mercapto-5-heptyl-1,3,4-oxadiazole
  • 2-(1-Heptyl)-5-mercapto-1,3,4-oxadiazole
  • 5-Heptyl-1,3,4-oxadiazole-2-thiol

Work with 2-Mercapto-5-heptyloxadiazole

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

Decylbenzene104-72-335 % similar Hexylbenzene1077-16-335 % similar Heptylbenzene1078-71-335 % similar n-Nonylbenzene1081-77-235 % similar Dodecylbenzene123-01-335 % similar Tridecylbenzene123-02-435 % similar Hexadecylbenzene1459-09-235 % similar Tetradecylbenzene1459-10-535 % similar

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

Elsewhere

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