2,3-dimethylthiolane 1-oxide

C6H12OS — CID 54129483

IUPAC2,3-dimethylthiolane 1-oxide
SMILESCC1CCS(=O)C1C
InChIInChI=1S/C6H12OS/c1-5-3-4-8(7)6(5)2/h5-6H,3-4H2,1-2H3
InChIKeyNBKSQNXWHRUUFY-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.16
Rot. Bonds

About 2,3-dimethylthiolane 1-oxide

2,3-dimethylthiolane 1-oxide (PubChem CID 54129483) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 2,3-dimethylthiolane 1-oxide.

Molecular Properties

Compound Name2,3-dimethylthiolane 1-oxide
PubChem CID54129483
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name2,3-dimethylthiolane 1-oxide
SMILESCC1CCS(=O)C1C
InChIInChI=1S/C6H12OS/c1-5-3-4-8(7)6(5)2/h5-6H,3-4H2,1-2H3
InChIKeyNBKSQNXWHRUUFY-UHFFFAOYSA-N
XLogP1.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-2,3-dimethylthiane 1-oxide
CID 134881522
(1S,2R,3R)-2,3-dimethyl-1,4-thiazinane 1-oxide
CID 95240880
2-ethylthietane 1-oxide
CID 18989880
2,2,4-trimethyl-1,3-dithiane 1-oxide
CID 544437
2,3-dimethyl-4-prop-2-enyl-1,4-thiazinane 1-oxide
CID 130666700
4-methylthiane 1-oxide;hydrate
CID 144515391
(2R)-2-tert-butylthiolane 1-oxide
CID 5497083
3-(4-ethylphenyl)-2,5-dimethyl-1,4-thiazepane 1-oxide
CID 66233988
4-methyl-3,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[b][1,4]thiazepine 1-oxide
CID 66233532
4-cyclobutyl-2-methyl-1,4-thiazinane 1-oxide
CID 130891121
1-oxothietane-2-carboxylic acid
CID 67879589
2,3-dimethyl-4-naphthalen-1-ylsulfonyl-1,4-thiazinane 1-oxide
CID 71974611

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylthiolane 1-oxide?
The IUPAC name of 2,3-dimethylthiolane 1-oxide (CID 54129483) is 2,3-dimethylthiolane 1-oxide.
What is the SMILES notation for 2,3-dimethylthiolane 1-oxide?
The canonical SMILES for 2,3-dimethylthiolane 1-oxide is CC1CCS(=O)C1C.
What is the InChIKey of 2,3-dimethylthiolane 1-oxide?
The InChIKey is NBKSQNXWHRUUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-5-3-4-8(7)6(5)2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,3-dimethylthiolane 1-oxide?
2,3-dimethylthiolane 1-oxide has a molecular weight of 132.23 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylthiolane 1-oxide is sourced from PubChem (CID 54129483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).