1-[disulfanyl-(2-methoxyphenyl)methyl]-2-methoxybenzene

C15H16O2S2 — CID 18915942

IUPAC1-[disulfanyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
SMILESCOc1ccccc1C(SS)c1ccccc1OC
InChIInChI=1S/C15H16O2S2/c1-16-13-9-5-3-7-11(13)15(19-18)12-8-4-6-10-14(12)17-2/h3-10,15,18H,1-2H3
InChIKeyHOJRWQAWCRTDMT-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.37
Rot. Bonds5

About 1-[disulfanyl-(2-methoxyphenyl)methyl]-2-methoxybenzene

1-[disulfanyl-(2-methoxyphenyl)methyl]-2-methoxybenzene (PubChem CID 18915942) has the molecular formula C15H16O2S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[disulfanyl-(2-methoxyphenyl)methyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[disulfanyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
PubChem CID18915942
Molecular FormulaC15H16O2S2
Molecular Weight292.43 g/mol
Exact Mass292.06
IUPAC Name1-[disulfanyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
SMILESCOc1ccccc1C(SS)c1ccccc1OC
InChIInChI=1S/C15H16O2S2/c1-16-13-9-5-3-7-11(13)15(19-18)12-8-4-6-10-14(12)17-2/h3-10,15,18H,1-2H3
InChIKeyHOJRWQAWCRTDMT-UHFFFAOYSA-N
XLogP4.37
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-methoxyphenyl)ethanethiol
CID 28974918
1-[(1R,2S)-1,2-bis(ethylsulfanyl)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzene
CID 101140556
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene
CID 173474378
[(1S)-1-(2-methoxyphenyl)ethyl]phosphane
CID 130462203
2-methoxybenzenethiol;sulfane
CID 141393821
methanethiol;2-methoxyphenol
CID 141484211
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926
1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954416
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678

Frequently Asked Questions

What is the IUPAC name of 1-[disulfanyl-(2-methoxyphenyl)methyl]-2-methoxybenzene?
The IUPAC name of 1-[disulfanyl-(2-methoxyphenyl)methyl]-2-methoxybenzene (CID 18915942) is 1-[disulfanyl-(2-methoxyphenyl)methyl]-2-methoxybenzene.
What is the SMILES notation for 1-[disulfanyl-(2-methoxyphenyl)methyl]-2-methoxybenzene?
The canonical SMILES for 1-[disulfanyl-(2-methoxyphenyl)methyl]-2-methoxybenzene is COc1ccccc1C(SS)c1ccccc1OC.
What is the InChIKey of 1-[disulfanyl-(2-methoxyphenyl)methyl]-2-methoxybenzene?
The InChIKey is HOJRWQAWCRTDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S2/c1-16-13-9-5-3-7-11(13)15(19-18)12-8-4-6-10-14(12)17-2/h3-10,15,18H,1-2H3.
What are the key properties of 1-[disulfanyl-(2-methoxyphenyl)methyl]-2-methoxybenzene?
1-[disulfanyl-(2-methoxyphenyl)methyl]-2-methoxybenzene has a molecular weight of 292.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[disulfanyl-(2-methoxyphenyl)methyl]-2-methoxybenzene is sourced from PubChem (CID 18915942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).