ethane;1-methyl-2-methylsulfinylbenzene

C10H16OS — CID 143887984

IUPACethane;1-methyl-2-methylsulfinylbenzene
SMILESCC.Cc1ccccc1S(C)=O
InChIInChI=1S/C8H10OS.C2H6/c1-7-5-3-4-6-8(7)10(2)9;1-2/h3-6H,1-2H3;1-2H3
InChIKeyHJZJPDTUVWZYMN-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.76
Rot. Bonds1

About ethane;1-methyl-2-methylsulfinylbenzene

ethane;1-methyl-2-methylsulfinylbenzene (PubChem CID 143887984) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is ethane;1-methyl-2-methylsulfinylbenzene.

Molecular Properties

Compound Nameethane;1-methyl-2-methylsulfinylbenzene
PubChem CID143887984
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Nameethane;1-methyl-2-methylsulfinylbenzene
SMILESCC.Cc1ccccc1S(C)=O
InChIInChI=1S/C8H10OS.C2H6/c1-7-5-3-4-6-8(7)10(2)9;1-2/h3-6H,1-2H3;1-2H3
InChIKeyHJZJPDTUVWZYMN-UHFFFAOYSA-N
XLogP2.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-(2-methylsulfinylphenyl)benzene
CID 67317752
1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene
CID 163864796
1-iodo-2-methylsulfinylbenzene
CID 53256675
1,2,3-tris(methylsulfinyl)benzene
CID 18707368
1-methylsulfanyl-2-methylsulfinylbenzene
CID 54387516
2,4-dimethyl-1-(2-methylphenyl)sulfinylbenzene
CID 20542545
N-ethylidene-2-methylbenzenesulfinamide
CID 57029137
1-ethenyl-2-methylsulfinylbenzene
CID 10881174
4-chloro-1-methyl-2-methylsulfinylbenzene
CID 140984936
4-methyl-3-methylsulfinylaniline
CID 79006286
methylsulfinylmethane;1,2,3-trimethylbenzene
CID 174947389
ethane;methane;pentakis(1,2-xylene)
CID 158909718

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-methylsulfinylbenzene?
The IUPAC name of ethane;1-methyl-2-methylsulfinylbenzene (CID 143887984) is ethane;1-methyl-2-methylsulfinylbenzene.
What is the SMILES notation for ethane;1-methyl-2-methylsulfinylbenzene?
The canonical SMILES for ethane;1-methyl-2-methylsulfinylbenzene is CC.Cc1ccccc1S(C)=O.
What is the InChIKey of ethane;1-methyl-2-methylsulfinylbenzene?
The InChIKey is HJZJPDTUVWZYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS.C2H6/c1-7-5-3-4-6-8(7)10(2)9;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-2-methylsulfinylbenzene?
ethane;1-methyl-2-methylsulfinylbenzene has a molecular weight of 184.30 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-methylsulfinylbenzene is sourced from PubChem (CID 143887984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).