(2S)-2,3-dimethylthietane 1,1-dioxide

C5H10O2S — CID 130381680

IUPAC(2S)-2,3-dimethylthietane 1,1-dioxide
SMILESCC1CS(=O)(=O)[C@H]1C
InChIInChI=1S/C5H10O2S/c1-4-3-8(6,7)5(4)2/h4-5H,3H2,1-2H3/t4?,5-/m0/s1
InChIKeyFPTGNISVNIDICQ-AKGZTFGVSA-N
MW134.20 g/mol
LogP0.44
Rot. Bonds

About (2S)-2,3-dimethylthietane 1,1-dioxide

(2S)-2,3-dimethylthietane 1,1-dioxide (PubChem CID 130381680) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is (2S)-2,3-dimethylthietane 1,1-dioxide.

Molecular Properties

Compound Name(2S)-2,3-dimethylthietane 1,1-dioxide
PubChem CID130381680
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name(2S)-2,3-dimethylthietane 1,1-dioxide
SMILESCC1CS(=O)(=O)[C@H]1C
InChIInChI=1S/C5H10O2S/c1-4-3-8(6,7)5(4)2/h4-5H,3H2,1-2H3/t4?,5-/m0/s1
InChIKeyFPTGNISVNIDICQ-AKGZTFGVSA-N
XLogP0.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dimethylthietane 1,1-dioxide?
The IUPAC name of (2S)-2,3-dimethylthietane 1,1-dioxide (CID 130381680) is (2S)-2,3-dimethylthietane 1,1-dioxide.
What is the SMILES notation for (2S)-2,3-dimethylthietane 1,1-dioxide?
The canonical SMILES for (2S)-2,3-dimethylthietane 1,1-dioxide is CC1CS(=O)(=O)[C@H]1C.
What is the InChIKey of (2S)-2,3-dimethylthietane 1,1-dioxide?
The InChIKey is FPTGNISVNIDICQ-AKGZTFGVSA-N. The full InChI is InChI=1S/C5H10O2S/c1-4-3-8(6,7)5(4)2/h4-5H,3H2,1-2H3/t4?,5-/m0/s1.
What are the key properties of (2S)-2,3-dimethylthietane 1,1-dioxide?
(2S)-2,3-dimethylthietane 1,1-dioxide has a molecular weight of 134.20 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dimethylthietane 1,1-dioxide is sourced from PubChem (CID 130381680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).