1-ethylsulfonylethane;sulfur trioxide

C4H10O5S2 — CID 159641357

IUPAC1-ethylsulfonylethane;sulfur trioxide
SMILESCCS(=O)(=O)CC.O=S(=O)=O
InChIInChI=1S/C4H10O2S.O3S/c1-3-7(5,6)4-2;1-4(2)3/h3-4H2,1-2H3;
InChIKeyMQJWSTISMPSAGJ-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.56
Rot. Bonds2

About 1-ethylsulfonylethane;sulfur trioxide

1-ethylsulfonylethane;sulfur trioxide (PubChem CID 159641357) has the molecular formula C4H10O5S2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-ethylsulfonylethane;sulfur trioxide.

Molecular Properties

Compound Name1-ethylsulfonylethane;sulfur trioxide
PubChem CID159641357
Molecular FormulaC4H10O5S2
Molecular Weight202.25 g/mol
Exact Mass202.00
IUPAC Name1-ethylsulfonylethane;sulfur trioxide
SMILESCCS(=O)(=O)CC.O=S(=O)=O
InChIInChI=1S/C4H10O2S.O3S/c1-3-7(5,6)4-2;1-4(2)3/h3-4H2,1-2H3;
InChIKeyMQJWSTISMPSAGJ-UHFFFAOYSA-N
XLogP-0.56
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethylsulfonylethane;methoxymethane
CID 174793539
ethane-1,2-diamine;1-ethylsulfonylethane
CID 88712876
acetonitrile;1-ethylsulfonylethane
CID 158338907
ethanol;sulfur trioxide
CID 88617255
1-ethylsulfonylethane;1,3,5-triazine
CID 160830785
(sulfinatoamino)methylsulfonylethane
CID 91198760
1-propylsulfonylpropane
CID 11709
methylsulfanylethane;sulfur trioxide
CID 159085380
ethylsulfonylmethylazanium
CID 153320610
1,8-bis(ethylsulfonyl)octane
CID 19033553
1,5-bis(ethylsulfonyl)pentane
CID 5250018
1,6-bis(ethylsulfonyl)hexane
CID 54565943

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylethane;sulfur trioxide?
The IUPAC name of 1-ethylsulfonylethane;sulfur trioxide (CID 159641357) is 1-ethylsulfonylethane;sulfur trioxide.
What is the SMILES notation for 1-ethylsulfonylethane;sulfur trioxide?
The canonical SMILES for 1-ethylsulfonylethane;sulfur trioxide is CCS(=O)(=O)CC.O=S(=O)=O.
What is the InChIKey of 1-ethylsulfonylethane;sulfur trioxide?
The InChIKey is MQJWSTISMPSAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S.O3S/c1-3-7(5,6)4-2;1-4(2)3/h3-4H2,1-2H3;.
What are the key properties of 1-ethylsulfonylethane;sulfur trioxide?
1-ethylsulfonylethane;sulfur trioxide has a molecular weight of 202.25 g/mol, XLogP of -0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylethane;sulfur trioxide is sourced from PubChem (CID 159641357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).