1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene

C10H14O2S — CID 117035950

IUPAC1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene
SMILESCOSc1cc(C)c(OC)cc1C
InChIInChI=1S/C10H14O2S/c1-7-6-10(13-12-4)8(2)5-9(7)11-3/h5-6H,1-4H3
InChIKeyHKVYTGNCPVBIQB-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.97
Rot. Bonds3

About 1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene

1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene (PubChem CID 117035950) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene
PubChem CID117035950
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene
SMILESCOSc1cc(C)c(OC)cc1C
InChIInChI=1S/C10H14O2S/c1-7-6-10(13-12-4)8(2)5-9(7)11-3/h5-6H,1-4H3
InChIKeyHKVYTGNCPVBIQB-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene
CID 18738928
3-(4-methoxy-2,5-dimethylphenyl)sulfanylazetidine
CID 117032983
2-(4-methoxy-2,5-dimethylphenyl)sulfanylbutan-1-amine
CID 117035408
(4,5-dimethoxy-2-methylphenyl) thiohypofluorite
CID 144923776
4-(4-methoxy-2,5-dimethylphenyl)sulfanylcyclohexan-1-ol
CID 117034473
1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene
CID 20549048
(2-methoxy-4,5-dimethylphenyl)sulfanylmethanol
CID 117033384
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
bis(4-methoxy-2,5-dimethylphenyl)phosphane
CID 175501578

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene?
The IUPAC name of 1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene (CID 117035950) is 1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene.
What is the SMILES notation for 1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene?
The canonical SMILES for 1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene is COSc1cc(C)c(OC)cc1C.
What is the InChIKey of 1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene?
The InChIKey is HKVYTGNCPVBIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-7-6-10(13-12-4)8(2)5-9(7)11-3/h5-6H,1-4H3.
What are the key properties of 1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene?
1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene has a molecular weight of 198.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene is sourced from PubChem (CID 117035950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).