Glyceryl monothioglycolate

C5H10O4SCAS 30618-84-9166.19 g/mol

Open in Covalent MOL file
OOSHOHHO
AlcoholEsterThiol

Properties

Molecular formula
C5H10O4S
Molar mass
166.19 g/mol
Exact mass
166.0300 Da
logP
-1.19Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
4

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

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

Precautionary statements

P261, P264, P270, P272, P280, P301+P316, P302+P352, P317, P321, P330, P333+P317, P362+P364, P405, P501

Identifiers

CAS number
30618-84-9
SMILES
C(C(COC(=O)CS)O)O
InChIKey
DOGJSOZYUGJVKS-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O4S/c6-1-4(7)2-9-5(8)3-10/h4,6-7,10H,1-3H2

Weigh it out

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

Names and synonyms

6 names
  • Acetic acid, 2-mercapto-, monoester with 1,2,3-propanetriol
  • Acetic acid, mercapto-, monoester with glycerol
  • Acetic acid, mercapto-, monoester with 1,2,3-propanetriol
  • Acetic acid, mercapto-, ester with glycerol
  • Glycerin monothioglycolate
  • Glycerol monomercaptoacetate

Work with Glyceryl monothioglycolate

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

1-Monostearin123-94-455 % similar 1-Monolaurin142-18-755 % similar 1-Monopalmitin19670-51-055 % similar Monocaprin26402-22-255 % similar Glyceryl monocaprylate26402-26-655 % similar Monolaurin27215-38-955 % similar Glyceryl monobehenate30233-64-855 % similar Glycerol monostearate31566-31-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl (methylsulfonyl)acetate4455-15-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook