chempirical

3-Thiomorpholinecarboxylic acid

C5H9NO2SCAS 20960-92-3147.19 g/mol

Open in Covalent MOL file
OHOSHN
Carboxylic acidSecondary amineSulfide

Properties

Molecular formula
C5H9NO2S
Molar mass
147.19 g/mol
Exact mass
147.0354 Da
logP
-0.22Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
20960-92-3
SMILES
O=C(O)C1CSCCN1
InChIKey
JOKIQGQOKXGHDV-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO2S/c7-5(8)4-3-9-2-1-6-4/h4,6H,1-3H2,(H,7,8)

Weigh it out

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

Names and synonyms

2 names
  • 1,4-Thiomorpholine-3-carboxylic acid
  • (RS)-Thiomorpholine-3-carboxylic acid

Work with 3-Thiomorpholinecarboxylic 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

L-Thioproline34592-47-766 % similar 4-Thiazolidinecarboxylic acid444-27-966 % similar Azetidine-2-carboxylic acid2133-34-855 % similar (±)-2-Azetidinecarboxylic acid2517-04-655 % similar Proline147-85-352 % similar D-Proline344-25-252 % similar Dl-proline609-36-952 % similar (S)-Piperazine-2-carboxylic acid147650-70-250 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook