Methyl 1-thio-β-D-galactopyranoside

C₇H₁₄O₅SCAS 155-30-6210.24 g/mol

Open in Covalent MOL file

Alcohol Ether Sulfide

Properties

Molecular formula: C₇H₁₄O₅S
Molar mass: 210.24 g/mol
Exact mass: 210.0562 Da
Melting point: 174–175 °C
logP: -1.85Crippen estimate
Polar surface area: 90.2 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 2
Stereocentres: S, R, R, S, Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

155-30-6

SMILES

CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

InChIKey

LZFNFLTVAMOOPJ-PZRMXXKTSA-N

InChI

InChI=1S/C7H14O5S/c1-13-7-6(11)5(10)4(9)3(2-8)12-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1

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Names and synonyms

7 names

β-D-Galactopyranoside, methyl 1-thio-
Galactopyranoside, methyl 1-thio-, β-D-
TMG
Thiomethyl β-D-galactopyranoside
Methyl β-thiogalactoside
Methyl β-D-thiogalactopyranoside
Methyl 1-thio-β-D-galactoside

Work with Methyl 1-thio-β-D-galactopyranoside

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

Isopropyl β-D-1-thiogalactopyranoside367-93-164 % similar Ethyl 1-thio-D-galactopyranoside56245-60-464 % similar n-Heptyl β-D-thioglucoside85618-20-855 % similar N-Octyl beta-D-thioglucopyranoside85618-21-955 % similar D-Galactopyranose10257-28-052 % similar β-D-Glucose492-61-552 % similar α-D-Glucose492-62-652 % similar β-D-Allopyranose7283-09-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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