methylsulfanylethane

C3H8S — CID 12230

IUPACmethylsulfanylethane
SMILESCCSC
InChIInChI=1S/C3H8S/c1-3-4-2/h3H2,1-2H3
InChIKeyWXEHBUMAEPOYKP-UHFFFAOYSA-N
MW76.16 g/mol
LogP1.37
Rot. Bonds1

About methylsulfanylethane

methylsulfanylethane (PubChem CID 12230) has the molecular formula C3H8S and a molecular weight of 76.16 g/mol. Its IUPAC name is methylsulfanylethane.

Molecular Properties

Compound Namemethylsulfanylethane
PubChem CID12230
Molecular FormulaC3H8S
Molecular Weight76.16 g/mol
Exact Mass76.03
IUPAC Namemethylsulfanylethane
SMILESCCSC
InChIInChI=1S/C3H8S/c1-3-4-2/h3H2,1-2H3
InChIKeyWXEHBUMAEPOYKP-UHFFFAOYSA-N
XLogP1.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.16
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethyl sulfide
CID 9609
2,5-Dithiahexane
CID 23110
Isopropyl Methyl Sulfide
CID 15246
3-Thia-1-butanethiol
CID 525458
Triethylsulfonium
CID 74590
Sulfonium, ethyldimethyl-
CID 209219
2,3,6-Trithiaheptane
CID 86246115
Diethyl(methyl)sulfonium
CID 209217
Dimethylethylsulfonium iodide
CID 12539936
Dimethyl(propan-2-yl)sulfanium
CID 20466327
Lithium methanidylsulfanylethane
CID 134877987
Methyl-d3-thioethane
CID 142556

Frequently Asked Questions

What is the IUPAC name of methylsulfanylethane?
The IUPAC name of methylsulfanylethane (CID 12230) is methylsulfanylethane.
What is the SMILES notation for methylsulfanylethane?
The canonical SMILES for methylsulfanylethane is CCSC.
What is the InChIKey of methylsulfanylethane?
The InChIKey is WXEHBUMAEPOYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8S/c1-3-4-2/h3H2,1-2H3.
What are the key properties of methylsulfanylethane?
methylsulfanylethane has a molecular weight of 76.16 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylethane is sourced from PubChem (CID 12230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).