chempirical

Epigoitrin

C5H7NOSCAS 1072-93-1129.18 g/mol

Open in Covalent MOL file
NSHO
AlkeneThiol

Properties

Molecular formula
C5H7NOS
Molar mass
129.18 g/mol
Exact mass
129.0248 Da
logP
0.86Crippen estimate
Polar surface area
21.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

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
1072-93-1
SMILES
C=C[C@@H]1CN=C(S)O1
InChIKey
UZQVYLOFLQICCT-SCSAIBSYSA-N
InChI
InChI=1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)/t4-/m1/s1

Weigh it out

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

Names and synonyms

10 names
  • 2-Oxazolidinethione, 5-ethenyl-, (5R)-
  • 2-Oxazolidinethione, 5-vinyl-, (R)-
  • 2-Oxazolidinethione, 5-ethenyl-, (R)-
  • (5R)-5-Ethenyl-2-oxazolidinethione
  • (R)-Goitrin
  • (+)-5-Vinyl-2-oxazolidinethione
  • Ba 51-090278
  • (R)-5-Vinyloxazolidine-2-thione
  • Epi-Goitrin
  • (5R)-5-Ethenyl-1,3-oxazolidine-2-thione

Work with Epigoitrin

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

Vinylethylene carbonate4427-96-735 % similar Vinyloxirane930-22-334 % similar

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

Same formula

2-Ethoxythiazole15679-19-3 2-Acetyl-2-thiazoline29926-41-8 2-Methyl-5-methoxythiazole38205-64-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook