chempirical

Isopropyl β-D-1-thiogalactopyranoside

C9H18O5SCAS 367-93-1238.30 g/mol

Open in Covalent MOL file
SOOHOHOHHO
AlcoholEtherSulfide

Properties

Molecular formula
C9H18O5S
Molar mass
238.30 g/mol
Exact mass
238.0875 Da
Melting point
121 °C
logP
-1.07Crippen estimate
Polar surface area
90.2 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
3
Stereocentres
S, R, R, S, Rin SMILES atom order

Identifiers

CAS number
367-93-1
SMILES
CC(C)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIKey
BPHPUYQFMNQIOC-NXRLNHOXSA-N
InChI
InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6+,7+,8-,9+/m1/s1

Weigh it out

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

Names and synonyms

15 names · show all
  • β-D-Galactopyranoside, 1-methylethyl 1-thio-
  • Galactopyranoside, isopropyl 1-thio-, β-D-
  • Galactopyranoside, isopropyl 1-thio-
  • 1-Methylethyl 1-thio-β-D-galactopyranoside
  • IPTG
  • Isopropyl β-D-thiogalactopyranoside
  • Isopropyl β-thiogalactopyranoside
  • Thioisopropyl β-D-galactopyranoside
  • Isopropyl thio-β-D-galactoside
  • Isopropyl 1-thio-β-D-galactoside
  • Isopropyl β-thiogalactoside
  • Isopropyl thio-β-D-galactopyranoside
  • Isopropyl 1-thio-β-D-galactopyranoside
  • Isopropyl-β-D-1-thiogalactopyranoside
  • 1: PN: CN105175524 PAGE: 2 claimed sequence

Work with Isopropyl β-D-1-thiogalactopyranoside

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

Methyl 1-thio-β-D-galactopyranoside155-30-664 % similar N-Heptyl β-D-thioglucoside85618-20-853 % similar N-Octyl beta-D-thioglucopyranoside85618-21-953 % similar D-Galactopyranose10257-28-048 % similar β-D-Glucose492-61-548 % similar α-D-Glucose492-62-648 % similar β-D-Allopyranose7283-09-248 % similar Trehalose99-20-748 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia