1-methyl-3-methylsulfanyloxybenzene

C8H10OS — CID 58741885

IUPAC1-methyl-3-methylsulfanyloxybenzene
SMILESCSOc1cccc(C)c1
InChIInChI=1S/C8H10OS/c1-7-4-3-5-8(6-7)9-10-2/h3-6H,1-2H3
InChIKeyJDVHCSSBDGLQCC-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.65
Rot. Bonds2

About 1-methyl-3-methylsulfanyloxybenzene

1-methyl-3-methylsulfanyloxybenzene (PubChem CID 58741885) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 1-methyl-3-methylsulfanyloxybenzene.

Molecular Properties

Compound Name1-methyl-3-methylsulfanyloxybenzene
PubChem CID58741885
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name1-methyl-3-methylsulfanyloxybenzene
SMILESCSOc1cccc(C)c1
InChIInChI=1S/C8H10OS/c1-7-4-3-5-8(6-7)9-10-2/h3-6H,1-2H3
InChIKeyJDVHCSSBDGLQCC-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
dibromozinc;1-methoxy-3-methylbenzene
CID 174778631
1-methyl-3-(trichloromethoxy)benzene
CID 21412926
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-iodo-2-methyl-4-(3-methylphenoxy)benzene
CID 135130038
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
1-(1,1-difluoropropoxy)-3-methylbenzene
CID 67588241
1-dimethylphosphoryloxy-3-methylbenzene
CID 23081729
1,2,3-tris(3-methylphenoxy)benzene
CID 139940681

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylsulfanyloxybenzene?
The IUPAC name of 1-methyl-3-methylsulfanyloxybenzene (CID 58741885) is 1-methyl-3-methylsulfanyloxybenzene.
What is the SMILES notation for 1-methyl-3-methylsulfanyloxybenzene?
The canonical SMILES for 1-methyl-3-methylsulfanyloxybenzene is CSOc1cccc(C)c1.
What is the InChIKey of 1-methyl-3-methylsulfanyloxybenzene?
The InChIKey is JDVHCSSBDGLQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-7-4-3-5-8(6-7)9-10-2/h3-6H,1-2H3.
What are the key properties of 1-methyl-3-methylsulfanyloxybenzene?
1-methyl-3-methylsulfanyloxybenzene has a molecular weight of 154.23 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylsulfanyloxybenzene is sourced from PubChem (CID 58741885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).