1-(dimethoxymethyl)-2-methylsulfanylbenzene

C10H14O2S — CID 11735760

IUPAC1-(dimethoxymethyl)-2-methylsulfanylbenzene
SMILESCOC(OC)c1ccccc1SC
InChIInChI=1S/C10H14O2S/c1-11-10(12-2)8-6-4-5-7-9(8)13-3/h4-7,10H,1-3H3
InChIKeyFAPKEELFVYFKHQ-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.70
Rot. Bonds4

About 1-(dimethoxymethyl)-2-methylsulfanylbenzene

1-(dimethoxymethyl)-2-methylsulfanylbenzene (PubChem CID 11735760) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-(dimethoxymethyl)-2-methylsulfanylbenzene.

Molecular Properties

Compound Name1-(dimethoxymethyl)-2-methylsulfanylbenzene
PubChem CID11735760
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name1-(dimethoxymethyl)-2-methylsulfanylbenzene
SMILESCOC(OC)c1ccccc1SC
InChIInChI=1S/C10H14O2S/c1-11-10(12-2)8-6-4-5-7-9(8)13-3/h4-7,10H,1-3H3
InChIKeyFAPKEELFVYFKHQ-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Benzaldehyde dimethyl acetal
CID 62375
Benzyl S-phenyl thiocarbonate
CID 3653998
Benzyl ethylsulfanylformate
CID 480039
2,2-dimethyl-4H-3,1-benzoxathiine
CID 11052247
1,3-Benzothioxan
CID 21887712
2-methyl-4H-3,1-benzoxathiine
CID 85763505
[2-[[(1S)-1-methoxypropoxy]methyl]phenyl]-propan-2-yl-(trifluoromethylsulfonyloxy)sulfanium
CID 135032983
1-[(E)-4,4-dimethoxy-2-methylbut-2-enyl]sulfanyl-2-methylbenzene
CID 10634598
(s)-(Phenylthiomethyl)benzyl ether
CID 10966494
2-[4-Methyl-3-(methylsulfanyl)phenyl]-1.3-dioxolane
CID 11481242
4-(Methylsulfonyl)benzaldehyde dimethyl acetal
CID 13596601
2-(4-Methylsulfanylphenyl)-1,3-dioxolane
CID 55256041

Frequently Asked Questions

What is the IUPAC name of 1-(dimethoxymethyl)-2-methylsulfanylbenzene?
The IUPAC name of 1-(dimethoxymethyl)-2-methylsulfanylbenzene (CID 11735760) is 1-(dimethoxymethyl)-2-methylsulfanylbenzene.
What is the SMILES notation for 1-(dimethoxymethyl)-2-methylsulfanylbenzene?
The canonical SMILES for 1-(dimethoxymethyl)-2-methylsulfanylbenzene is COC(OC)c1ccccc1SC.
What is the InChIKey of 1-(dimethoxymethyl)-2-methylsulfanylbenzene?
The InChIKey is FAPKEELFVYFKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-11-10(12-2)8-6-4-5-7-9(8)13-3/h4-7,10H,1-3H3.
What are the key properties of 1-(dimethoxymethyl)-2-methylsulfanylbenzene?
1-(dimethoxymethyl)-2-methylsulfanylbenzene has a molecular weight of 198.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethoxymethyl)-2-methylsulfanylbenzene is sourced from PubChem (CID 11735760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).