Tetrahydro-2-methyl-3-furanthiol

C₅H₁₀OSCAS 57124-87-5118.19 g/mol

Open in Covalent MOL file

Ether Thiol

Properties

Molecular formula: C₅H₁₀OS
Molar mass: 118.19 g/mol
Exact mass: 118.0452 Da
Density: 1.042–1.049 g/mL
logP: 1.09Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor38.4% of notifiers
H315 Causes skin irritation95.8% of notifiers
H319 Causes serious eye irritation95.8% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 1,455 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

57124-87-5

SMILES

CC1OCCC1S

InChIKey

DBPHPBLAKVZXOY-UHFFFAOYSA-N

InChI

InChI=1S/C5H10OS/c1-4-5(7)2-3-6-4/h4-5,7H,2-3H2,1H3

Weigh it out

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

Names and synonyms

6 names

2-Methyltetrahydrofuran-3-thiol
Pentitol, 1,4-anhydro-2,5-dideoxy-3-thio-
3-Furanthiol, tetrahydro-2-methyl-
1,4-Anhydro-2,5-dideoxy-3-thiopentitol
2-Methyl-3-mercaptotetrahydrofuran
2-Methyloxolane-3-thiol

Work with Tetrahydro-2-methyl-3-furanthiol

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

4-Methyl-1,3-dioxane1120-97-432 % similar

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

Same formula

Methylthiomethyl ethyl ketone13678-58-5 3-(Methylthio)butanal16630-52-7 S-Propyl thioacetate2307-10-0 S-Ethyl propanethioate2432-42-0 S-Methyl butanethioate2432-51-1 4-(Methylthio)-2-butanone34047-39-7 2,2-Dimethylpropanethioic acid55561-02-9 3-Mercapto-2-pentanone67633-97-0

Elsewhere

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