(E)-1,3-bis(prop-2-enylsulfinyl)prop-1-ene

C9H14O2S2 — CID 6449031

IUPAC(E)-1,3-bis(prop-2-enylsulfinyl)prop-1-ene
SMILESC=CCS(=O)/C=C/CS(=O)CC=C
InChIInChI=1S/C9H14O2S2/c1-3-6-12(10)8-5-9-13(11)7-4-2/h3-5,8H,1-2,6-7,9H2/b8-5+
InChIKeyWKVIKFWWTZLJCQ-VMPITWQZSA-N
MW218.34 g/mol
LogP1.37
Rot. Bonds7

About (E)-1,3-bis(prop-2-enylsulfinyl)prop-1-ene

(E)-1,3-bis(prop-2-enylsulfinyl)prop-1-ene (PubChem CID 6449031) has the molecular formula C9H14O2S2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (E)-1,3-bis(prop-2-enylsulfinyl)prop-1-ene.

Molecular Properties

Compound Name(E)-1,3-bis(prop-2-enylsulfinyl)prop-1-ene
PubChem CID6449031
Molecular FormulaC9H14O2S2
Molecular Weight218.34 g/mol
Exact Mass218.04
IUPAC Name(E)-1,3-bis(prop-2-enylsulfinyl)prop-1-ene
SMILESC=CCS(=O)/C=C/CS(=O)CC=C
InChIInChI=1S/C9H14O2S2/c1-3-6-12(10)8-5-9-13(11)7-4-2/h3-5,8H,1-2,6-7,9H2/b8-5+
InChIKeyWKVIKFWWTZLJCQ-VMPITWQZSA-N
XLogP1.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,3-bis(prop-2-enylsulfinyl)prop-1-ene?
The IUPAC name of (E)-1,3-bis(prop-2-enylsulfinyl)prop-1-ene (CID 6449031) is (E)-1,3-bis(prop-2-enylsulfinyl)prop-1-ene.
What is the SMILES notation for (E)-1,3-bis(prop-2-enylsulfinyl)prop-1-ene?
The canonical SMILES for (E)-1,3-bis(prop-2-enylsulfinyl)prop-1-ene is C=CCS(=O)/C=C/CS(=O)CC=C.
What is the InChIKey of (E)-1,3-bis(prop-2-enylsulfinyl)prop-1-ene?
The InChIKey is WKVIKFWWTZLJCQ-VMPITWQZSA-N. The full InChI is InChI=1S/C9H14O2S2/c1-3-6-12(10)8-5-9-13(11)7-4-2/h3-5,8H,1-2,6-7,9H2/b8-5+.
What are the key properties of (E)-1,3-bis(prop-2-enylsulfinyl)prop-1-ene?
(E)-1,3-bis(prop-2-enylsulfinyl)prop-1-ene has a molecular weight of 218.34 g/mol, XLogP of 1.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-bis(prop-2-enylsulfinyl)prop-1-ene is sourced from PubChem (CID 6449031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).