3-prop-2-enylsulfinylprop-1-ene;sulfur trioxide

C6H10O4S2 — CID 88846082

IUPAC3-prop-2-enylsulfinylprop-1-ene;sulfur trioxide
SMILESC=CCS(=O)CC=C.O=S(=O)=O
InChIInChI=1S/C6H10OS.O3S/c1-3-5-8(7)6-4-2;1-4(2)3/h3-4H,1-2,5-6H2;
InChIKeyYBNJTEZGUBHGKU-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.10
Rot. Bonds4

About 3-prop-2-enylsulfinylprop-1-ene;sulfur trioxide

3-prop-2-enylsulfinylprop-1-ene;sulfur trioxide (PubChem CID 88846082) has the molecular formula C6H10O4S2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-prop-2-enylsulfinylprop-1-ene;sulfur trioxide.

Molecular Properties

Compound Name3-prop-2-enylsulfinylprop-1-ene;sulfur trioxide
PubChem CID88846082
Molecular FormulaC6H10O4S2
Molecular Weight210.28 g/mol
Exact Mass210.00
IUPAC Name3-prop-2-enylsulfinylprop-1-ene;sulfur trioxide
SMILESC=CCS(=O)CC=C.O=S(=O)=O
InChIInChI=1S/C6H10OS.O3S/c1-3-5-8(7)6-4-2;1-4(2)3/h3-4H,1-2,5-6H2;
InChIKeyYBNJTEZGUBHGKU-UHFFFAOYSA-N
XLogP0.10
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1,3-bis(prop-2-enylsulfinyl)propane
CID 4584125
(E)-3-prop-2-enylsulfinyl-1-propylsulfinylprop-1-ene
CID 6367006
1-prop-2-enylsulfinylprop-2-ene-1-thiol
CID 173029866
3-prop-2-enylsulfonylsulfinylprop-1-ene
CID 87152238
4-prop-2-enylsulfinylbut-1-ynylbenzene
CID 135086824
5-prop-2-enylsulfinylpyrimidine
CID 70584024
oct-1-ene;sulfur trioxide
CID 174327182
1-ethylsulfonylpropane;prop-2-ene-1-sulfinate
CID 174852684
1-(benzyldisulfanyl)-2-(prop-2-enylsulfinylmethyl)benzene
CID 134928337
(2S)-2-amino-5-[[(1R)-1-carboxy-2-[(R)-prop-2-enylsulfinyl]ethyl]amino]-5-oxopentanoic acid
CID 162946192
1-prop-2-enylsulfinylcyclopentene
CID 67229215
3-hydroxy-3-prop-2-enylsulfinylpyrrolidine-2,5-dione
CID 70436621

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylsulfinylprop-1-ene;sulfur trioxide?
The IUPAC name of 3-prop-2-enylsulfinylprop-1-ene;sulfur trioxide (CID 88846082) is 3-prop-2-enylsulfinylprop-1-ene;sulfur trioxide.
What is the SMILES notation for 3-prop-2-enylsulfinylprop-1-ene;sulfur trioxide?
The canonical SMILES for 3-prop-2-enylsulfinylprop-1-ene;sulfur trioxide is C=CCS(=O)CC=C.O=S(=O)=O.
What is the InChIKey of 3-prop-2-enylsulfinylprop-1-ene;sulfur trioxide?
The InChIKey is YBNJTEZGUBHGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS.O3S/c1-3-5-8(7)6-4-2;1-4(2)3/h3-4H,1-2,5-6H2;.
What are the key properties of 3-prop-2-enylsulfinylprop-1-ene;sulfur trioxide?
3-prop-2-enylsulfinylprop-1-ene;sulfur trioxide has a molecular weight of 210.28 g/mol, XLogP of 0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylsulfinylprop-1-ene;sulfur trioxide is sourced from PubChem (CID 88846082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).