(3-methoxy-4-methylsulfonylphenyl)-trimethylstannane

C11H18O3SSn — CID 68519082

IUPAC(3-methoxy-4-methylsulfonylphenyl)-trimethylstannane
SMILESCOc1cc([Sn](C)(C)C)ccc1S(C)(=O)=O
InChIInChI=1S/C8H9O3S.3CH3.Sn/c1-11-7-5-3-4-6-8(7)12(2,9)10;;;;/h4-6H,1-2H3;3*1H3;
InChIKeyYORBZMYCVMCXBN-UHFFFAOYSA-N
MW349.04 g/mol
LogP1.64
Rot. Bonds3

About (3-methoxy-4-methylsulfonylphenyl)-trimethylstannane

(3-methoxy-4-methylsulfonylphenyl)-trimethylstannane (PubChem CID 68519082) has the molecular formula C11H18O3SSn and a molecular weight of 349.04 g/mol. Its IUPAC name is (3-methoxy-4-methylsulfonylphenyl)-trimethylstannane.

Molecular Properties

Compound Name(3-methoxy-4-methylsulfonylphenyl)-trimethylstannane
PubChem CID68519082
Molecular FormulaC11H18O3SSn
Molecular Weight349.04 g/mol
Exact Mass350.00
IUPAC Name(3-methoxy-4-methylsulfonylphenyl)-trimethylstannane
SMILESCOc1cc([Sn](C)(C)C)ccc1S(C)(=O)=O
InChIInChI=1S/C8H9O3S.3CH3.Sn/c1-11-7-5-3-4-6-8(7)12(2,9)10;;;;/h4-6H,1-2H3;3*1H3;
InChIKeyYORBZMYCVMCXBN-UHFFFAOYSA-N
XLogP1.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.04
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-methyl-1-methylsulfonylbenzene
CID 23546847
2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117362849
4-isocyanato-2-methoxy-1-methylsulfonylbenzene
CID 87532233
2-(3-methoxy-4-methylsulfonylphenyl)pyrrolidine
CID 117391561
methane;1-methoxy-3,6,8-tris(methylsulfonyl)pyrene
CID 158287758
N-[4-(3-methoxy-4-methylsulfonylbenzoyl)phenyl]acetamide
CID 57105559
1-(3-methoxy-4-methylsulfonylphenyl)cyclobutane-1-carboxylic acid
CID 117457835
1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine
CID 116927354
(2,5-dimethoxy-4-methylsulfonylphenyl)methylhydrazine
CID 116932374
4-(1-isocyanatocyclobutyl)-2-methoxy-1-methylsulfonylbenzene
CID 117451494
(1R)-1-(3-methoxy-4-methylsulfonylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 97322885
(1S)-1-(3-methoxy-4-methylsulfonylphenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 97322884

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylsulfonylphenyl)-trimethylstannane?
The IUPAC name of (3-methoxy-4-methylsulfonylphenyl)-trimethylstannane (CID 68519082) is (3-methoxy-4-methylsulfonylphenyl)-trimethylstannane.
What is the SMILES notation for (3-methoxy-4-methylsulfonylphenyl)-trimethylstannane?
The canonical SMILES for (3-methoxy-4-methylsulfonylphenyl)-trimethylstannane is COc1cc([Sn](C)(C)C)ccc1S(C)(=O)=O.
What is the InChIKey of (3-methoxy-4-methylsulfonylphenyl)-trimethylstannane?
The InChIKey is YORBZMYCVMCXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O3S.3CH3.Sn/c1-11-7-5-3-4-6-8(7)12(2,9)10;;;;/h4-6H,1-2H3;3*1H3;.
What are the key properties of (3-methoxy-4-methylsulfonylphenyl)-trimethylstannane?
(3-methoxy-4-methylsulfonylphenyl)-trimethylstannane has a molecular weight of 349.04 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylsulfonylphenyl)-trimethylstannane is sourced from PubChem (CID 68519082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).