methylsulfinylmethane;1,2,3-trimethylbenzene

C11H18OS — CID 174947389

IUPACmethylsulfinylmethane;1,2,3-trimethylbenzene
SMILESCS(C)=O.Cc1cccc(C)c1C
InChIInChI=1S/C9H12.C2H6OS/c1-7-5-4-6-8(2)9(7)3;1-4(2)3/h4-6H,1-3H3;1-2H3
InChIKeyKFMXIBPRMXSVIM-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.61
Rot. Bonds

About methylsulfinylmethane;1,2,3-trimethylbenzene

methylsulfinylmethane;1,2,3-trimethylbenzene (PubChem CID 174947389) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is methylsulfinylmethane;1,2,3-trimethylbenzene.

Molecular Properties

Compound Namemethylsulfinylmethane;1,2,3-trimethylbenzene
PubChem CID174947389
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Namemethylsulfinylmethane;1,2,3-trimethylbenzene
SMILESCS(C)=O.Cc1cccc(C)c1C
InChIInChI=1S/C9H12.C2H6OS/c1-7-5-4-6-8(2)9(7)3;1-4(2)3/h4-6H,1-3H3;1-2H3
InChIKeyKFMXIBPRMXSVIM-UHFFFAOYSA-N
XLogP2.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

benzene;1,2,3-trimethylbenzene
CID 159605245
ethane;1,2,3-trimethylbenzene
CID 54068667
potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene
CID 158486906
methane;1,2,3-trimethylbenzene;1,2-xylene
CID 157250417
phosphenous acid;1,2,3-trimethylbenzene
CID 174913168
phosphoric acid;tris(1,2,3-trimethylbenzene)
CID 175926272
2,3-dimethylaniline;sulfur trioxide
CID 174311736
dichlororuthenium;1,2,3-trimethylbenzene
CID 87163409
hexane;1,2,3-trimethylbenzene
CID 159405289
pyridine;1,2,3-trimethylbenzene;hydrochloride
CID 174567082
1-bis(2,3-dimethylphenyl)phosphoryl-2,3-dimethylbenzene
CID 118862460

Frequently Asked Questions

What is the IUPAC name of methylsulfinylmethane;1,2,3-trimethylbenzene?
The IUPAC name of methylsulfinylmethane;1,2,3-trimethylbenzene (CID 174947389) is methylsulfinylmethane;1,2,3-trimethylbenzene.
What is the SMILES notation for methylsulfinylmethane;1,2,3-trimethylbenzene?
The canonical SMILES for methylsulfinylmethane;1,2,3-trimethylbenzene is CS(C)=O.Cc1cccc(C)c1C.
What is the InChIKey of methylsulfinylmethane;1,2,3-trimethylbenzene?
The InChIKey is KFMXIBPRMXSVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C2H6OS/c1-7-5-4-6-8(2)9(7)3;1-4(2)3/h4-6H,1-3H3;1-2H3.
What are the key properties of methylsulfinylmethane;1,2,3-trimethylbenzene?
methylsulfinylmethane;1,2,3-trimethylbenzene has a molecular weight of 198.33 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinylmethane;1,2,3-trimethylbenzene is sourced from PubChem (CID 174947389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).