2,2-Diethoxythioacetamide

C6H13NO2SCAS 73956-15-7163.24 g/mol

Open in Covalent MOL file
OSH2NO
AcetalEther

Properties

Molecular formula
C6H13NO2S
Molar mass
163.24 g/mol
Exact mass
163.0667 Da
logP
0.67Crippen estimate
Polar surface area
44.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
73956-15-7
SMILES
CCOC(C(=S)N)OCC
InChIKey
MQSDGAKLSVITHP-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO2S/c1-3-8-6(5(7)10)9-4-2/h6H,3-4H2,1-2H3,(H2,7,10)

Weigh it out

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

Names and synonyms

1 names
  • 2,2-Diethoxyethanethioamide

Work with 2,2-Diethoxythioacetamide

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

Ethyl diethoxyacetate6065-82-340 % similar Cyclopropanecarbothioamide20295-34-538 % similar Triethyl orthoformate122-51-038 % similar Aminoacetaldehyde diethylacetal645-36-336 % similar 1,1-Diethoxyethane105-57-735 % similar 1,1,3,3-Tetraethoxypropane122-31-635 % similar Ethyl thiooxamate16982-21-133 % similar 1-Amino-3,3-diethoxypropane41365-75-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethionine13073-35-3 D-Ethionine535-32-0 DL-Ethionine67-21-0

Elsewhere

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