(2-methylsulfanylphenyl)oxidanium

C7H9OS+ — CID 143399169

IUPAC(2-methylsulfanylphenyl)oxidanium
SMILESCSc1ccccc1[OH2+]
InChIInChI=1S/C7H8OS/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3/p+1
InChIKeySOOARYARZPXNAL-UHFFFAOYSA-O
MW141.21 g/mol
LogP1.85
Rot. Bonds1

About (2-methylsulfanylphenyl)oxidanium

(2-methylsulfanylphenyl)oxidanium (PubChem CID 143399169) has the molecular formula C7H9OS+ and a molecular weight of 141.21 g/mol. Its IUPAC name is (2-methylsulfanylphenyl)oxidanium.

Molecular Properties

Compound Name(2-methylsulfanylphenyl)oxidanium
PubChem CID143399169
Molecular FormulaC7H9OS+
Molecular Weight141.21 g/mol
Exact Mass141.04
IUPAC Name(2-methylsulfanylphenyl)oxidanium
SMILESCSc1ccccc1[OH2+]
InChIInChI=1S/C7H8OS/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3/p+1
InChIKeySOOARYARZPXNAL-UHFFFAOYSA-O
XLogP1.85
TPSA22.90 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-methylsulfanylphenyl)oxidanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-fluoro-2-methylsulfanylbenzene
CID 143031250
CID 160556343
CID 160556343
cobalt;bis(2-methylsulfanylphenol);dihydrate
CID 70522952
2-methylsulfanylphenol;naphthalene
CID 174459188
N-(2-methylsulfanylphenyl)hydroxylamine
CID 166768546
(2-methylsulfanylphenyl) hypoiodite
CID 144554638
azane;2-methyl-1,3-bis(methylsulfanyl)benzene
CID 18755719
1-methylsulfanyl-2-methylsulfinylbenzene
CID 54387516
CID 68562978
CID 68562978
1,1,1,3,3,3-hexafluoro-2-(2-methylsulfanylphenyl)propan-2-ol
CID 71761886
N-methoxy-2-methylsulfanylaniline
CID 142183947
2-methylsulfanyl-N-trimethylsilylaniline
CID 22717583

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylphenyl)oxidanium?
The IUPAC name of (2-methylsulfanylphenyl)oxidanium (CID 143399169) is (2-methylsulfanylphenyl)oxidanium.
What is the SMILES notation for (2-methylsulfanylphenyl)oxidanium?
The canonical SMILES for (2-methylsulfanylphenyl)oxidanium is CSc1ccccc1[OH2+].
What is the InChIKey of (2-methylsulfanylphenyl)oxidanium?
The InChIKey is SOOARYARZPXNAL-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H8OS/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3/p+1.
What are the key properties of (2-methylsulfanylphenyl)oxidanium?
(2-methylsulfanylphenyl)oxidanium has a molecular weight of 141.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylphenyl)oxidanium is sourced from PubChem (CID 143399169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).