(4-methoxyphenyl)-methylsulfanium

C8H11OS+ — CID 135778928

IUPAC(4-methoxyphenyl)-methylsulfanium
SMILESCOc1ccc([SH+]C)cc1
InChIInChI=1S/C8H10OS/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3/p+1
InChIKeyDQNSKXYRRRCKGH-UHFFFAOYSA-O
MW155.24 g/mol
LogP1.50
Rot. Bonds2

About (4-methoxyphenyl)-methylsulfanium

(4-methoxyphenyl)-methylsulfanium (PubChem CID 135778928) has the molecular formula C8H11OS+ and a molecular weight of 155.24 g/mol. Its IUPAC name is (4-methoxyphenyl)-methylsulfanium.

Molecular Properties

Compound Name(4-methoxyphenyl)-methylsulfanium
PubChem CID135778928
Molecular FormulaC8H11OS+
Molecular Weight155.24 g/mol
Exact Mass155.05
IUPAC Name(4-methoxyphenyl)-methylsulfanium
SMILESCOc1ccc([SH+]C)cc1
InChIInChI=1S/C8H10OS/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3/p+1
InChIKeyDQNSKXYRRRCKGH-UHFFFAOYSA-O
XLogP1.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 154175564
CID 154175564
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
1-(113C)methoxy-4-methylbenzene
CID 166176950
CID 91526706
CID 91526706
bis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate
CID 175536149
1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene
CID 86224004
(4-methoxyphenyl)silane
CID 100998160
CID 12607295
CID 12607295
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
CID 14687696
CID 14687696
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
tetrakis(4-methoxyphenyl)plumbane
CID 5092827

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-methylsulfanium?
The IUPAC name of (4-methoxyphenyl)-methylsulfanium (CID 135778928) is (4-methoxyphenyl)-methylsulfanium.
What is the SMILES notation for (4-methoxyphenyl)-methylsulfanium?
The canonical SMILES for (4-methoxyphenyl)-methylsulfanium is COc1ccc([SH+]C)cc1.
What is the InChIKey of (4-methoxyphenyl)-methylsulfanium?
The InChIKey is DQNSKXYRRRCKGH-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10OS/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3/p+1.
What are the key properties of (4-methoxyphenyl)-methylsulfanium?
(4-methoxyphenyl)-methylsulfanium has a molecular weight of 155.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-methylsulfanium is sourced from PubChem (CID 135778928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).