1,4-dimethyl-2-(methylsulfanylmethyl)benzene

C10H14S — CID 11768926

IUPAC1,4-dimethyl-2-(methylsulfanylmethyl)benzene
SMILESCSCc1cc(C)ccc1C
InChIInChI=1S/C10H14S/c1-8-4-5-9(2)10(6-8)7-11-3/h4-6H,7H2,1-3H3
InChIKeyRQHYVZVWQZOEBB-UHFFFAOYSA-N
MW166.29 g/mol
LogP3.17
Rot. Bonds2

About 1,4-dimethyl-2-(methylsulfanylmethyl)benzene

1,4-dimethyl-2-(methylsulfanylmethyl)benzene (PubChem CID 11768926) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is 1,4-dimethyl-2-(methylsulfanylmethyl)benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-(methylsulfanylmethyl)benzene
PubChem CID11768926
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name1,4-dimethyl-2-(methylsulfanylmethyl)benzene
SMILESCSCc1cc(C)ccc1C
InChIInChI=1S/C10H14S/c1-8-4-5-9(2)10(6-8)7-11-3/h4-6H,7H2,1-3H3
InChIKeyRQHYVZVWQZOEBB-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-2-(methylsulfanylmethyl)benzenethiol
CID 12720883
1,4-dimethyl-2-[2-(methylsulfanylmethyl)prop-2-enyl]benzene
CID 146249408
2-(fluoromethyl)-1,4-dimethylbenzene
CID 15724447
3-[(2,5-dimethylphenyl)methylsulfanyl]propan-1-amine
CID 66219052
1-[(2,5-dimethylphenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 66223800
4-[(2,5-dimethylphenyl)methylsulfanyl]aniline
CID 4156794
ethane;2-(methoxymethyl)-1,4-dimethylbenzene
CID 143876448
2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine
CID 57219210
2-(bromomethyl)-1,4-dimethylbenzene;methane
CID 178158630
methyl 2-[(2,5-dimethylphenyl)methylsulfanyl]acetate
CID 78765913
2-(2-chloroethyl)-1,4-dimethylbenzene
CID 53403519
1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene
CID 20734489

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(methylsulfanylmethyl)benzene?
The IUPAC name of 1,4-dimethyl-2-(methylsulfanylmethyl)benzene (CID 11768926) is 1,4-dimethyl-2-(methylsulfanylmethyl)benzene.
What is the SMILES notation for 1,4-dimethyl-2-(methylsulfanylmethyl)benzene?
The canonical SMILES for 1,4-dimethyl-2-(methylsulfanylmethyl)benzene is CSCc1cc(C)ccc1C.
What is the InChIKey of 1,4-dimethyl-2-(methylsulfanylmethyl)benzene?
The InChIKey is RQHYVZVWQZOEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S/c1-8-4-5-9(2)10(6-8)7-11-3/h4-6H,7H2,1-3H3.
What are the key properties of 1,4-dimethyl-2-(methylsulfanylmethyl)benzene?
1,4-dimethyl-2-(methylsulfanylmethyl)benzene has a molecular weight of 166.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(methylsulfanylmethyl)benzene is sourced from PubChem (CID 11768926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).