2-(Methylthio)thiophene

C₅H₆S₂CAS 5780-36-9130.22 g/mol

Open in Covalent MOL file

Sulfide

Properties

Molecular formula: C₅H₆S₂
Molar mass: 130.22 g/mol
Exact mass: 129.9911 Da
logP: 2.47Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed88.6% of notifiers
H317 May cause an allergic skin reaction88.6% of notifiers
H318 Causes serious eye damage88.6% of notifiers
H319 Causes serious eye irritation11.4% of notifiers
H335 May cause respiratory irritation11.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5780-36-9

SMILES

CSC1=CC=CS1

InChIKey

ZLSMPEVZXWDWEK-UHFFFAOYSA-N

InChI

InChI=1S/C5H6S2/c1-6-5-3-2-4-7-5/h2-4H,1H3

Weigh it out

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

Work with 2-(Methylthio)thiophene

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

2,2′-Dithiobis[thiophene]6911-51-959 % similar 2-(Phenylthio)thiophene16718-12-048 % similar 2-Methylthiophene554-14-340 % similar 2,2′-Bithiophene492-97-739 % similar Thioanisole100-68-536 % similar 2-Thiophenethiol7774-74-536 % similar 2-Methoxythiophene16839-97-736 % similar 2-Thienyltrimethylsilane18245-28-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Thiophenemethanethiol6258-63-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook