1,3-bis(ethenylsulfinyl)propane

C7H12O2S2 — CID 139841414

IUPAC1,3-bis(ethenylsulfinyl)propane
SMILESC=CS(=O)CCCS(=O)C=C
InChIInChI=1S/C7H12O2S2/c1-3-10(8)6-5-7-11(9)4-2/h3-4H,1-2,5-7H2
InChIKeyPTGYYAXJUWXCPM-UHFFFAOYSA-N
MW192.30 g/mol
LogP1.16
Rot. Bonds6

About 1,3-bis(ethenylsulfinyl)propane

1,3-bis(ethenylsulfinyl)propane (PubChem CID 139841414) has the molecular formula C7H12O2S2 and a molecular weight of 192.30 g/mol. Its IUPAC name is 1,3-bis(ethenylsulfinyl)propane.

Molecular Properties

Compound Name1,3-bis(ethenylsulfinyl)propane
PubChem CID139841414
Molecular FormulaC7H12O2S2
Molecular Weight192.30 g/mol
Exact Mass192.03
IUPAC Name1,3-bis(ethenylsulfinyl)propane
SMILESC=CS(=O)CCCS(=O)C=C
InChIInChI=1S/C7H12O2S2/c1-3-10(8)6-5-7-11(9)4-2/h3-4H,1-2,5-7H2
InChIKeyPTGYYAXJUWXCPM-UHFFFAOYSA-N
XLogP1.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenylsulfinyl)propane?
The IUPAC name of 1,3-bis(ethenylsulfinyl)propane (CID 139841414) is 1,3-bis(ethenylsulfinyl)propane.
What is the SMILES notation for 1,3-bis(ethenylsulfinyl)propane?
The canonical SMILES for 1,3-bis(ethenylsulfinyl)propane is C=CS(=O)CCCS(=O)C=C.
What is the InChIKey of 1,3-bis(ethenylsulfinyl)propane?
The InChIKey is PTGYYAXJUWXCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S2/c1-3-10(8)6-5-7-11(9)4-2/h3-4H,1-2,5-7H2.
What are the key properties of 1,3-bis(ethenylsulfinyl)propane?
1,3-bis(ethenylsulfinyl)propane has a molecular weight of 192.30 g/mol, XLogP of 1.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenylsulfinyl)propane is sourced from PubChem (CID 139841414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).