1-methoxy-2-(methyldisulfanyl)benzene

C8H10OS2 — CID 22419793

IUPAC1-methoxy-2-(methyldisulfanyl)benzene
SMILESCOc1ccccc1SSC
InChIInChI=1S/C8H10OS2/c1-9-7-5-3-4-6-8(7)11-10-2/h3-6H,1-2H3
InChIKeyIWIGBYWPENPFFU-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.07
Rot. Bonds3

About 1-methoxy-2-(methyldisulfanyl)benzene

1-methoxy-2-(methyldisulfanyl)benzene (PubChem CID 22419793) has the molecular formula C8H10OS2 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-methoxy-2-(methyldisulfanyl)benzene.

Molecular Properties

Compound Name1-methoxy-2-(methyldisulfanyl)benzene
PubChem CID22419793
Molecular FormulaC8H10OS2
Molecular Weight186.30 g/mol
Exact Mass186.02
IUPAC Name1-methoxy-2-(methyldisulfanyl)benzene
SMILESCOc1ccccc1SSC
InChIInChI=1S/C8H10OS2/c1-9-7-5-3-4-6-8(7)11-10-2/h3-6H,1-2H3
InChIKeyIWIGBYWPENPFFU-UHFFFAOYSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 54020197
azane;1,2-dimethoxybenzene
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1-(1,1-dideuterio(113C)ethylsulfanyl)-2-methoxybenzene
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1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene
CID 60593855
1-(2,2-diethoxyethylsulfanyl)-2-methoxybenzene
CID 10106471
2-fluoro-1-methoxy-3-methylsulfanylbenzene
CID 91881055
1,3-bis[(2-methoxyphenyl)sulfanyl]urea
CID 123582415
1-(1-deuterio-1-protio(113C)ethyl)sulfanyl-2-methoxybenzene
CID 58500194
(2-methoxyphenyl)-(2-methylsulfanylphenyl)methanol
CID 114978739
1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene
CID 141087077
1-[2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 63835196

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(methyldisulfanyl)benzene?
The IUPAC name of 1-methoxy-2-(methyldisulfanyl)benzene (CID 22419793) is 1-methoxy-2-(methyldisulfanyl)benzene.
What is the SMILES notation for 1-methoxy-2-(methyldisulfanyl)benzene?
The canonical SMILES for 1-methoxy-2-(methyldisulfanyl)benzene is COc1ccccc1SSC.
What is the InChIKey of 1-methoxy-2-(methyldisulfanyl)benzene?
The InChIKey is IWIGBYWPENPFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS2/c1-9-7-5-3-4-6-8(7)11-10-2/h3-6H,1-2H3.
What are the key properties of 1-methoxy-2-(methyldisulfanyl)benzene?
1-methoxy-2-(methyldisulfanyl)benzene has a molecular weight of 186.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(methyldisulfanyl)benzene is sourced from PubChem (CID 22419793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).