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

C10H14O2S — CID 12637716

IUPAC1,2-dimethoxy-4-(methylsulfanylmethyl)benzene
SMILESCOc1ccc(CSC)cc1OC
InChIInChI=1S/C10H14O2S/c1-11-9-5-4-8(7-13-3)6-10(9)12-2/h4-6H,7H2,1-3H3
InChIKeyGMYATIFKQFLRAB-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.57
Rot. Bonds4

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

1,2-dimethoxy-4-(methylsulfanylmethyl)benzene (PubChem CID 12637716) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1,2-dimethoxy-4-(methylsulfanylmethyl)benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-(methylsulfanylmethyl)benzene
PubChem CID12637716
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name1,2-dimethoxy-4-(methylsulfanylmethyl)benzene
SMILESCOc1ccc(CSC)cc1OC
InChIInChI=1S/C10H14O2S/c1-11-9-5-4-8(7-13-3)6-10(9)12-2/h4-6H,7H2,1-3H3
InChIKeyGMYATIFKQFLRAB-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide
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CID 71625612
CID 71625612
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CID 82185003
4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
CID 13133800
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
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3-[(3,4-dimethoxyphenyl)methyl]pentane-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-(methylsulfanylmethyl)benzene?
The IUPAC name of 1,2-dimethoxy-4-(methylsulfanylmethyl)benzene (CID 12637716) is 1,2-dimethoxy-4-(methylsulfanylmethyl)benzene.
What is the SMILES notation for 1,2-dimethoxy-4-(methylsulfanylmethyl)benzene?
The canonical SMILES for 1,2-dimethoxy-4-(methylsulfanylmethyl)benzene is COc1ccc(CSC)cc1OC.
What is the InChIKey of 1,2-dimethoxy-4-(methylsulfanylmethyl)benzene?
The InChIKey is GMYATIFKQFLRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-11-9-5-4-8(7-13-3)6-10(9)12-2/h4-6H,7H2,1-3H3.
What are the key properties of 1,2-dimethoxy-4-(methylsulfanylmethyl)benzene?
1,2-dimethoxy-4-(methylsulfanylmethyl)benzene has a molecular weight of 198.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-(methylsulfanylmethyl)benzene is sourced from PubChem (CID 12637716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).