chempirical

2-(Methylthio)thiophene

C5H6S2CAS 5780-36-9130.22 g/mol

Open in Covalent MOL file
SS
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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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