2-propylsulfinylthietane 1-oxide

C6H12O2S2 — CID 87988683

IUPAC2-propylsulfinylthietane 1-oxide
SMILESCCCS(=O)C1CCS1=O
InChIInChI=1S/C6H12O2S2/c1-2-4-9(7)6-3-5-10(6)8/h6H,2-5H2,1H3
InChIKeyFCZFGWQKIKDMEI-UHFFFAOYSA-N
MW180.29 g/mol
LogP0.62
Rot. Bonds3

About 2-propylsulfinylthietane 1-oxide

2-propylsulfinylthietane 1-oxide (PubChem CID 87988683) has the molecular formula C6H12O2S2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-propylsulfinylthietane 1-oxide.

Molecular Properties

Compound Name2-propylsulfinylthietane 1-oxide
PubChem CID87988683
Molecular FormulaC6H12O2S2
Molecular Weight180.29 g/mol
Exact Mass180.03
IUPAC Name2-propylsulfinylthietane 1-oxide
SMILESCCCS(=O)C1CCS1=O
InChIInChI=1S/C6H12O2S2/c1-2-4-9(7)6-3-5-10(6)8/h6H,2-5H2,1H3
InChIKeyFCZFGWQKIKDMEI-UHFFFAOYSA-N
XLogP0.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfinylthietane 1-oxide?
The IUPAC name of 2-propylsulfinylthietane 1-oxide (CID 87988683) is 2-propylsulfinylthietane 1-oxide.
What is the SMILES notation for 2-propylsulfinylthietane 1-oxide?
The canonical SMILES for 2-propylsulfinylthietane 1-oxide is CCCS(=O)C1CCS1=O.
What is the InChIKey of 2-propylsulfinylthietane 1-oxide?
The InChIKey is FCZFGWQKIKDMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S2/c1-2-4-9(7)6-3-5-10(6)8/h6H,2-5H2,1H3.
What are the key properties of 2-propylsulfinylthietane 1-oxide?
2-propylsulfinylthietane 1-oxide has a molecular weight of 180.29 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfinylthietane 1-oxide is sourced from PubChem (CID 87988683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).