1-methoxy-2-[(2-methoxyphenyl)tetrasulfanyl]benzene

C14H14O2S4 — CID 54020197

IUPAC1-methoxy-2-[(2-methoxyphenyl)tetrasulfanyl]benzene
SMILESCOc1ccccc1SSSSc1ccccc1OC
InChIInChI=1S/C14H14O2S4/c1-15-11-7-3-5-9-13(11)17-19-20-18-14-10-6-4-8-12(14)16-2/h3-10H,1-2H3
InChIKeyKYJSYXJSSSZSRO-UHFFFAOYSA-N
MW342.53 g/mol
LogP5.80
Rot. Bonds7

About 1-methoxy-2-[(2-methoxyphenyl)tetrasulfanyl]benzene

1-methoxy-2-[(2-methoxyphenyl)tetrasulfanyl]benzene (PubChem CID 54020197) has the molecular formula C14H14O2S4 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-methoxy-2-[(2-methoxyphenyl)tetrasulfanyl]benzene.

Molecular Properties

Compound Name1-methoxy-2-[(2-methoxyphenyl)tetrasulfanyl]benzene
PubChem CID54020197
Molecular FormulaC14H14O2S4
Molecular Weight342.53 g/mol
Exact Mass341.99
IUPAC Name1-methoxy-2-[(2-methoxyphenyl)tetrasulfanyl]benzene
SMILESCOc1ccccc1SSSSc1ccccc1OC
InChIInChI=1S/C14H14O2S4/c1-15-11-7-3-5-9-13(11)17-19-20-18-14-10-6-4-8-12(14)16-2/h3-10H,1-2H3
InChIKeyKYJSYXJSSSZSRO-UHFFFAOYSA-N
XLogP5.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-(methyldisulfanyl)benzene
CID 22419793
1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene
CID 141087077
azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene
CID 60593855
1-(1,1-dideuterio(113C)ethylsulfanyl)-2-methoxybenzene
CID 58500338
1-(2,2-diethoxyethylsulfanyl)-2-methoxybenzene
CID 10106471
1-(1-deuterio-1-protio(113C)ethyl)sulfanyl-2-methoxybenzene
CID 58500194
1,3-bis[(2-methoxyphenyl)sulfanyl]urea
CID 123582415
azane;2-methoxyphenol
CID 172717837
3-fluoro-2-(2-methoxyphenyl)sulfanylphenol
CID 91388635
2-(2-methoxyphenyl)sulfanylbenzaldehyde
CID 12946428

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[(2-methoxyphenyl)tetrasulfanyl]benzene?
The IUPAC name of 1-methoxy-2-[(2-methoxyphenyl)tetrasulfanyl]benzene (CID 54020197) is 1-methoxy-2-[(2-methoxyphenyl)tetrasulfanyl]benzene.
What is the SMILES notation for 1-methoxy-2-[(2-methoxyphenyl)tetrasulfanyl]benzene?
The canonical SMILES for 1-methoxy-2-[(2-methoxyphenyl)tetrasulfanyl]benzene is COc1ccccc1SSSSc1ccccc1OC.
What is the InChIKey of 1-methoxy-2-[(2-methoxyphenyl)tetrasulfanyl]benzene?
The InChIKey is KYJSYXJSSSZSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S4/c1-15-11-7-3-5-9-13(11)17-19-20-18-14-10-6-4-8-12(14)16-2/h3-10H,1-2H3.
What are the key properties of 1-methoxy-2-[(2-methoxyphenyl)tetrasulfanyl]benzene?
1-methoxy-2-[(2-methoxyphenyl)tetrasulfanyl]benzene has a molecular weight of 342.53 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[(2-methoxyphenyl)tetrasulfanyl]benzene is sourced from PubChem (CID 54020197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).