3-methylthiolane 1,1-dioxide;toluene

C12H18O2S — CID 70637540

IUPAC3-methylthiolane 1,1-dioxide;toluene
SMILESCC1CCS(=O)(=O)C1.Cc1ccccc1
InChIInChI=1S/C7H8.C5H10O2S/c1-7-5-3-2-4-6-7;1-5-2-3-8(6,7)4-5/h2-6H,1H3;5H,2-4H2,1H3
InChIKeyZFKVRWGGAUXPBA-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.44
Rot. Bonds

About 3-methylthiolane 1,1-dioxide;toluene

3-methylthiolane 1,1-dioxide;toluene (PubChem CID 70637540) has the molecular formula C12H18O2S and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-methylthiolane 1,1-dioxide;toluene.

Molecular Properties

Compound Name3-methylthiolane 1,1-dioxide;toluene
PubChem CID70637540
Molecular FormulaC12H18O2S
Molecular Weight226.34 g/mol
Exact Mass226.10
IUPAC Name3-methylthiolane 1,1-dioxide;toluene
SMILESCC1CCS(=O)(=O)C1.Cc1ccccc1
InChIInChI=1S/C7H8.C5H10O2S/c1-7-5-3-2-4-6-7;1-5-2-3-8(6,7)4-5/h2-6H,1H3;5H,2-4H2,1H3
InChIKeyZFKVRWGGAUXPBA-UHFFFAOYSA-N
XLogP2.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide
CID 7102407
(3S)-N-benzyl-N-[(4-methylphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 129370823
5-methyl-3-(4-methylphenyl)-1,4-thiazepane 1,1-dioxide
CID 66232409
[(3S)-1,1-dioxothiolan-3-yl] 4-methylbenzoate
CID 40530092
methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109
3-[1,3-dichloro-2-(3-methylphenyl)propan-2-yl]thiolane 1,1-dioxide
CID 79453651
oxozinc;toluene
CID 174379116
4-phenoxythiane 1,1-dioxide
CID 141273372
1-fluoro-4-methylbenzene;methylcyclobutane;toluene
CID 145168505
3-(2-methylphenyl)-1,1-dioxothian-4-amine
CID 84799838

Frequently Asked Questions

What is the IUPAC name of 3-methylthiolane 1,1-dioxide;toluene?
The IUPAC name of 3-methylthiolane 1,1-dioxide;toluene (CID 70637540) is 3-methylthiolane 1,1-dioxide;toluene.
What is the SMILES notation for 3-methylthiolane 1,1-dioxide;toluene?
The canonical SMILES for 3-methylthiolane 1,1-dioxide;toluene is CC1CCS(=O)(=O)C1.Cc1ccccc1.
What is the InChIKey of 3-methylthiolane 1,1-dioxide;toluene?
The InChIKey is ZFKVRWGGAUXPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C5H10O2S/c1-7-5-3-2-4-6-7;1-5-2-3-8(6,7)4-5/h2-6H,1H3;5H,2-4H2,1H3.
What are the key properties of 3-methylthiolane 1,1-dioxide;toluene?
3-methylthiolane 1,1-dioxide;toluene has a molecular weight of 226.34 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylthiolane 1,1-dioxide;toluene is sourced from PubChem (CID 70637540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).