(E)-3-prop-2-enylsulfinyl-1-propylsulfinylprop-1-ene

C9H16O2S2 — CID 6367006

IUPAC(E)-3-prop-2-enylsulfinyl-1-propylsulfinylprop-1-ene
SMILESC=CCS(=O)C/C=C/S(=O)CCC
InChIInChI=1S/C9H16O2S2/c1-3-6-12(10)8-5-9-13(11)7-4-2/h3,5,9H,1,4,6-8H2,2H3/b9-5+
InChIKeyMPFUQSHJIFLNDB-WEVVVXLNSA-N
MW220.36 g/mol
LogP1.59
Rot. Bonds7

About (E)-3-prop-2-enylsulfinyl-1-propylsulfinylprop-1-ene

(E)-3-prop-2-enylsulfinyl-1-propylsulfinylprop-1-ene (PubChem CID 6367006) has the molecular formula C9H16O2S2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (E)-3-prop-2-enylsulfinyl-1-propylsulfinylprop-1-ene.

Molecular Properties

Compound Name(E)-3-prop-2-enylsulfinyl-1-propylsulfinylprop-1-ene
PubChem CID6367006
Molecular FormulaC9H16O2S2
Molecular Weight220.36 g/mol
Exact Mass220.06
IUPAC Name(E)-3-prop-2-enylsulfinyl-1-propylsulfinylprop-1-ene
SMILESC=CCS(=O)C/C=C/S(=O)CCC
InChIInChI=1S/C9H16O2S2/c1-3-6-12(10)8-5-9-13(11)7-4-2/h3,5,9H,1,4,6-8H2,2H3/b9-5+
InChIKeyMPFUQSHJIFLNDB-WEVVVXLNSA-N
XLogP1.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-prop-2-enylsulfinylprop-1-ene;sulfur trioxide
CID 88846082
2-fluoro-1,3-bis(prop-2-enylsulfinyl)propane
CID 4584125
platinum(2+);bis(1-propylsulfinylpropane);dichloride
CID 3082519
3-octylsulfinylprop-1-en-1-ol
CID 173239432
1-ethylsulfonylpropane;prop-2-ene-1-sulfinate
CID 174852684
(E)-1-ethylsulfanyl-4-ethylsulfinylbut-2-ene
CID 59288249
(E)-1-methylsulfinyloct-2-ene
CID 14024912
1-propylsulfinylbutane
CID 564183
butane;formaldehyde
CID 19870810
oct-1-ene;sulfur trioxide
CID 174327182
dec-2-ene-1-sulfinic acid
CID 175496149
[methylidene(propyl)-λ4-sulfanyl]formaldehyde
CID 91605387

Frequently Asked Questions

What is the IUPAC name of (E)-3-prop-2-enylsulfinyl-1-propylsulfinylprop-1-ene?
The IUPAC name of (E)-3-prop-2-enylsulfinyl-1-propylsulfinylprop-1-ene (CID 6367006) is (E)-3-prop-2-enylsulfinyl-1-propylsulfinylprop-1-ene.
What is the SMILES notation for (E)-3-prop-2-enylsulfinyl-1-propylsulfinylprop-1-ene?
The canonical SMILES for (E)-3-prop-2-enylsulfinyl-1-propylsulfinylprop-1-ene is C=CCS(=O)C/C=C/S(=O)CCC.
What is the InChIKey of (E)-3-prop-2-enylsulfinyl-1-propylsulfinylprop-1-ene?
The InChIKey is MPFUQSHJIFLNDB-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H16O2S2/c1-3-6-12(10)8-5-9-13(11)7-4-2/h3,5,9H,1,4,6-8H2,2H3/b9-5+.
What are the key properties of (E)-3-prop-2-enylsulfinyl-1-propylsulfinylprop-1-ene?
(E)-3-prop-2-enylsulfinyl-1-propylsulfinylprop-1-ene has a molecular weight of 220.36 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-prop-2-enylsulfinyl-1-propylsulfinylprop-1-ene is sourced from PubChem (CID 6367006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).