1-propan-2-ylsulfanyl-3-propan-2-ylsulfinylpropane

C9H20OS2 — CID 102006897

IUPAC1-propan-2-ylsulfanyl-3-propan-2-ylsulfinylpropane
SMILESCC(C)SCCCS(=O)C(C)C
InChIInChI=1S/C9H20OS2/c1-8(2)11-6-5-7-12(10)9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyUICMWLSTJZJGND-UHFFFAOYSA-N
MW208.39 g/mol
LogP2.68
Rot. Bonds6

About 1-propan-2-ylsulfanyl-3-propan-2-ylsulfinylpropane

1-propan-2-ylsulfanyl-3-propan-2-ylsulfinylpropane (PubChem CID 102006897) has the molecular formula C9H20OS2 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1-propan-2-ylsulfanyl-3-propan-2-ylsulfinylpropane.

Molecular Properties

Compound Name1-propan-2-ylsulfanyl-3-propan-2-ylsulfinylpropane
PubChem CID102006897
Molecular FormulaC9H20OS2
Molecular Weight208.39 g/mol
Exact Mass208.10
IUPAC Name1-propan-2-ylsulfanyl-3-propan-2-ylsulfinylpropane
SMILESCC(C)SCCCS(=O)C(C)C
InChIInChI=1S/C9H20OS2/c1-8(2)11-6-5-7-12(10)9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyUICMWLSTJZJGND-UHFFFAOYSA-N
XLogP2.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfanyl-3-propan-2-ylsulfinylpropane?
The IUPAC name of 1-propan-2-ylsulfanyl-3-propan-2-ylsulfinylpropane (CID 102006897) is 1-propan-2-ylsulfanyl-3-propan-2-ylsulfinylpropane.
What is the SMILES notation for 1-propan-2-ylsulfanyl-3-propan-2-ylsulfinylpropane?
The canonical SMILES for 1-propan-2-ylsulfanyl-3-propan-2-ylsulfinylpropane is CC(C)SCCCS(=O)C(C)C.
What is the InChIKey of 1-propan-2-ylsulfanyl-3-propan-2-ylsulfinylpropane?
The InChIKey is UICMWLSTJZJGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OS2/c1-8(2)11-6-5-7-12(10)9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-propan-2-ylsulfanyl-3-propan-2-ylsulfinylpropane?
1-propan-2-ylsulfanyl-3-propan-2-ylsulfinylpropane has a molecular weight of 208.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfanyl-3-propan-2-ylsulfinylpropane is sourced from PubChem (CID 102006897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).