(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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Related Compounds

(2S,3R,4S)-3,4-dibromo-2-methylthiolane 1,1-dioxide
CID 99940270
2-methyl-1,3-dithietane 1,1,3,3-tetraoxide
CID 89335035
6-methyl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide
CID 130381727
4-methyl-1,3-dithiolane 1,1,3,3-tetraoxide
CID 54222403
(3R,4R)-3,4-dimethylthiane 1,1-dioxide
CID 58714657
2,2,4,5-tetramethylthiolane 1,1-dioxide
CID 54264007
N,5-dimethyl-1,1-dioxothiolan-3-amine
CID 83905426
4-ethynyl-5-methyldithiane 1,1-dioxide
CID 89446079
2,5-dimethylthiazinane 1,1-dioxide;ethane
CID 142020415
(2R,3R)-3-methoxy-2-methylthiolane 1,1-dioxide
CID 54103725
3-methyl-3,4,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydro-2H-cyclododeca[b][1,4]thiazine 1,1-dioxide
CID 66216967
(2S,3S)-2,3-dimethyl-1,1-dimethylidenethiolane
CID 59584692

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).