1-ethylsulfanyl-1-ethylsulfinylpropane

C7H16OS2 — CID 71361502

IUPAC1-ethylsulfanyl-1-ethylsulfinylpropane
SMILESCCSC(CC)S(=O)CC
InChIInChI=1S/C7H16OS2/c1-4-7(9-5-2)10(8)6-3/h7H,4-6H2,1-3H3
InChIKeyRQCAZWKMHXRMNN-UHFFFAOYSA-N
MW180.34 g/mol
LogP2.24
Rot. Bonds5

About 1-ethylsulfanyl-1-ethylsulfinylpropane

1-ethylsulfanyl-1-ethylsulfinylpropane (PubChem CID 71361502) has the molecular formula C7H16OS2 and a molecular weight of 180.34 g/mol. Its IUPAC name is 1-ethylsulfanyl-1-ethylsulfinylpropane.

Molecular Properties

Compound Name1-ethylsulfanyl-1-ethylsulfinylpropane
PubChem CID71361502
Molecular FormulaC7H16OS2
Molecular Weight180.34 g/mol
Exact Mass180.06
IUPAC Name1-ethylsulfanyl-1-ethylsulfinylpropane
SMILESCCSC(CC)S(=O)CC
InChIInChI=1S/C7H16OS2/c1-4-7(9-5-2)10(8)6-3/h7H,4-6H2,1-3H3
InChIKeyRQCAZWKMHXRMNN-UHFFFAOYSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 52.24
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-ethylsulfanyl-1-ethylsulfinylpropane?
The IUPAC name of 1-ethylsulfanyl-1-ethylsulfinylpropane (CID 71361502) is 1-ethylsulfanyl-1-ethylsulfinylpropane.
What is the SMILES notation for 1-ethylsulfanyl-1-ethylsulfinylpropane?
The canonical SMILES for 1-ethylsulfanyl-1-ethylsulfinylpropane is CCSC(CC)S(=O)CC.
What is the InChIKey of 1-ethylsulfanyl-1-ethylsulfinylpropane?
The InChIKey is RQCAZWKMHXRMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS2/c1-4-7(9-5-2)10(8)6-3/h7H,4-6H2,1-3H3.
What are the key properties of 1-ethylsulfanyl-1-ethylsulfinylpropane?
1-ethylsulfanyl-1-ethylsulfinylpropane has a molecular weight of 180.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-1-ethylsulfinylpropane is sourced from PubChem (CID 71361502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).