chempirical

Thiomorpholine

C4H9NSCAS 123-90-0103.18 g/mol

Open in Covalent MOL file
SHN
Secondary amineSulfide

Properties

Molecular formula
C4H9NS
Molar mass
103.18 g/mol
Exact mass
103.0456 Da
Density
1.0882 g/mL (at 20 °C)
Melting point
170–175 °C
Boiling point
175 °C
logP
0.32Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
123-90-0
SMILES
C1CSCCN1
InChIKey
BRNULMACUQOKMR-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NS/c1-3-6-4-2-5-1/h5H,1-4H2

Weigh it out

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

Names and synonyms

8 names
  • Parathiazan
  • Tetrahydro-1,4-thiazine
  • 1,4-Thiazan
  • Thiamorpholine
  • 1-Thia-4-azacyclohexane
  • 1,4-Thiazane
  • 1,4-Thiazine, tetrahydro-
  • Thiamorpholin

Work with Thiomorpholine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Thiazolidine504-78-960 % similar Piperazine110-85-042 % similar 1,4,7-Triazacyclononane4730-54-542 % similar 1,4-Dithiane505-29-342 % similar Polyethylenimine9002-98-642 % similar Tetrahydrothiophene110-01-036 % similar Pyrrolidine123-75-136 % similar Thietane287-27-436 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia