3-methylsulfanylthietane 1-oxide

C4H8OS2 — CID 123279770

IUPAC3-methylsulfanylthietane 1-oxide
SMILESCSC1CS(=O)C1
InChIInChI=1S/C4H8OS2/c1-6-4-2-7(5)3-4/h4H,2-3H2,1H3
InChIKeyDIIKLYPFFNDIPC-UHFFFAOYSA-N
MW136.24 g/mol
LogP0.48
Rot. Bonds1

About 3-methylsulfanylthietane 1-oxide

3-methylsulfanylthietane 1-oxide (PubChem CID 123279770) has the molecular formula C4H8OS2 and a molecular weight of 136.24 g/mol. Its IUPAC name is 3-methylsulfanylthietane 1-oxide.

Molecular Properties

Compound Name3-methylsulfanylthietane 1-oxide
PubChem CID123279770
Molecular FormulaC4H8OS2
Molecular Weight136.24 g/mol
Exact Mass136.00
IUPAC Name3-methylsulfanylthietane 1-oxide
SMILESCSC1CS(=O)C1
InChIInChI=1S/C4H8OS2/c1-6-4-2-7(5)3-4/h4H,2-3H2,1H3
InChIKeyDIIKLYPFFNDIPC-UHFFFAOYSA-N
XLogP0.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Sulfoxide, isopropyl methyl
CID 139683
3-Ethylsulfanylthietane 1,1-dioxide
CID 327209
2-Methyl-1lambda4-thietan-1-one
CID 12385592
1-Methylsulfanyl-2-methylsulfinylethane
CID 12462228
1-(Methanesulfinyl)-3-(methylsulfanyl)propane
CID 12462229
2,3,6-Trithiaheptane 6-oxide
CID 86590331
1-Methylsulfanyl-4-methylsulfinylbutane
CID 12462232
2-[(R)-methylsulfinyl]propane
CID 11789146
CID 58544154
CID 58544154
1-Methylidenethietane 1-oxide
CID 87945403
2-Propylsulfinylthietane 1-oxide
CID 87988683
2-[(S)-methylsulfinyl]propane
CID 88911289

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylthietane 1-oxide?
The IUPAC name of 3-methylsulfanylthietane 1-oxide (CID 123279770) is 3-methylsulfanylthietane 1-oxide.
What is the SMILES notation for 3-methylsulfanylthietane 1-oxide?
The canonical SMILES for 3-methylsulfanylthietane 1-oxide is CSC1CS(=O)C1.
What is the InChIKey of 3-methylsulfanylthietane 1-oxide?
The InChIKey is DIIKLYPFFNDIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS2/c1-6-4-2-7(5)3-4/h4H,2-3H2,1H3.
What are the key properties of 3-methylsulfanylthietane 1-oxide?
3-methylsulfanylthietane 1-oxide has a molecular weight of 136.24 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylthietane 1-oxide is sourced from PubChem (CID 123279770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).