(3S)-2,3-bis(ethenylsulfonyl)butane

C8H14O4S2 — CID 159569958

IUPAC(3S)-2,3-bis(ethenylsulfonyl)butane
SMILESC=CS(=O)(=O)C(C)[C@H](C)S(=O)(=O)C=C
InChIInChI=1S/C8H14O4S2/c1-5-13(9,10)7(3)8(4)14(11,12)6-2/h5-8H,1-2H2,3-4H3/t7-,8?/m0/s1
InChIKeyIOKAVWUQOZXNAM-JAMMHHFISA-N
MW238.33 g/mol
LogP0.88
Rot. Bonds5

About (3S)-2,3-bis(ethenylsulfonyl)butane

(3S)-2,3-bis(ethenylsulfonyl)butane (PubChem CID 159569958) has the molecular formula C8H14O4S2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (3S)-2,3-bis(ethenylsulfonyl)butane.

Molecular Properties

Compound Name(3S)-2,3-bis(ethenylsulfonyl)butane
PubChem CID159569958
Molecular FormulaC8H14O4S2
Molecular Weight238.33 g/mol
Exact Mass238.03
IUPAC Name(3S)-2,3-bis(ethenylsulfonyl)butane
SMILESC=CS(=O)(=O)C(C)[C@H](C)S(=O)(=O)C=C
InChIInChI=1S/C8H14O4S2/c1-5-13(9,10)7(3)8(4)14(11,12)6-2/h5-8H,1-2H2,3-4H3/t7-,8?/m0/s1
InChIKeyIOKAVWUQOZXNAM-JAMMHHFISA-N
XLogP0.88
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-bis(ethenylsulfonyl)butane
CID 158758752
2-ethenylsulfonylpropanal
CID 173389769
bis(ethenylsulfonyl)methanol
CID 87959265
2-ethenylsulfonylbutanal
CID 173386551
1-ethenylsulfonyloxyethyl ethenesulfonate
CID 175406937
ethenesulfonate;rubidium(1+)
CID 140700043
CID 157288290
CID 157288290
bis(1-ethenylsulfonylethene);methanol
CID 19939004
but-3-ene-2-sulfonyl fluoride
CID 174353876
5-ethenylsulfonyloxyhex-3-yn-2-yl ethenesulfonate
CID 87857105
tetrakis(ethenyl)-λ4-sulfane
CID 88531359
1,2-bis(ethenylsulfonyl)-2-(ethylamino)ethanone
CID 141157491

Frequently Asked Questions

What is the IUPAC name of (3S)-2,3-bis(ethenylsulfonyl)butane?
The IUPAC name of (3S)-2,3-bis(ethenylsulfonyl)butane (CID 159569958) is (3S)-2,3-bis(ethenylsulfonyl)butane.
What is the SMILES notation for (3S)-2,3-bis(ethenylsulfonyl)butane?
The canonical SMILES for (3S)-2,3-bis(ethenylsulfonyl)butane is C=CS(=O)(=O)C(C)[C@H](C)S(=O)(=O)C=C.
What is the InChIKey of (3S)-2,3-bis(ethenylsulfonyl)butane?
The InChIKey is IOKAVWUQOZXNAM-JAMMHHFISA-N. The full InChI is InChI=1S/C8H14O4S2/c1-5-13(9,10)7(3)8(4)14(11,12)6-2/h5-8H,1-2H2,3-4H3/t7-,8?/m0/s1.
What are the key properties of (3S)-2,3-bis(ethenylsulfonyl)butane?
(3S)-2,3-bis(ethenylsulfonyl)butane has a molecular weight of 238.33 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,3-bis(ethenylsulfonyl)butane is sourced from PubChem (CID 159569958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).