methylsulfanylethane;sulfur trioxide

C3H8O3S2 — CID 159085380

IUPACmethylsulfanylethane;sulfur trioxide
SMILESCCSC.O=S(=O)=O
InChIInChI=1S/C3H8S.O3S/c1-3-4-2;1-4(2)3/h3H2,1-2H3;
InChIKeyKBJPENNJKWBONW-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.37
Rot. Bonds1

About methylsulfanylethane;sulfur trioxide

methylsulfanylethane;sulfur trioxide (PubChem CID 159085380) has the molecular formula C3H8O3S2 and a molecular weight of 156.23 g/mol. Its IUPAC name is methylsulfanylethane;sulfur trioxide.

Molecular Properties

Compound Namemethylsulfanylethane;sulfur trioxide
PubChem CID159085380
Molecular FormulaC3H8O3S2
Molecular Weight156.23 g/mol
Exact Mass155.99
IUPAC Namemethylsulfanylethane;sulfur trioxide
SMILESCCSC.O=S(=O)=O
InChIInChI=1S/C3H8S.O3S/c1-3-4-2;1-4(2)3/h3H2,1-2H3;
InChIKeyKBJPENNJKWBONW-UHFFFAOYSA-N
XLogP0.37
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-ethylsulfinylsulfanylsulfinylethane
CID 88801276
sodium ethanesulfinic acid
CID 19960758
propane sulfite
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N-methylbutan-1-amine;methylsulfanylethane
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2-(2-ethylsulfanylethylsulfanyl)ethanesulfonic acid;sulfur trioxide
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ethyl-methylidyne-oxo-λ6-sulfane
CID 145181210

Frequently Asked Questions

What is the IUPAC name of methylsulfanylethane;sulfur trioxide?
The IUPAC name of methylsulfanylethane;sulfur trioxide (CID 159085380) is methylsulfanylethane;sulfur trioxide.
What is the SMILES notation for methylsulfanylethane;sulfur trioxide?
The canonical SMILES for methylsulfanylethane;sulfur trioxide is CCSC.O=S(=O)=O.
What is the InChIKey of methylsulfanylethane;sulfur trioxide?
The InChIKey is KBJPENNJKWBONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8S.O3S/c1-3-4-2;1-4(2)3/h3H2,1-2H3;.
What are the key properties of methylsulfanylethane;sulfur trioxide?
methylsulfanylethane;sulfur trioxide has a molecular weight of 156.23 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylethane;sulfur trioxide is sourced from PubChem (CID 159085380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).