CID 173032545

C7H9O2SSi — CID 173032545

IUPAC—
SMILESCc1ccc(S(=O)(=O)[SiH2])cc1
InChIInChI=1S/C7H9O2SSi/c1-6-2-4-7(5-3-6)10(8,9)11/h2-5H,11H2,1H3
InChIKeyVDSYBUXNVKUIOT-UHFFFAOYSA-N
MW185.30 g/mol
LogP0.32
Rot. Bonds1

About CID 173032545

CID 173032545 (PubChem CID 173032545) has the molecular formula C7H9O2SSi and a molecular weight of 185.30 g/mol.

Molecular Properties

Compound NameCID 173032545
PubChem CID173032545
Molecular FormulaC7H9O2SSi
Molecular Weight185.30 g/mol
Exact Mass185.01
IUPAC Name—
SMILESCc1ccc(S(=O)(=O)[SiH2])cc1
InChIInChI=1S/C7H9O2SSi/c1-6-2-4-7(5-3-6)10(8,9)11/h2-5H,11H2,1H3
InChIKeyVDSYBUXNVKUIOT-UHFFFAOYSA-N
XLogP0.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
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(4-methylphenyl)sulfonyloxidanium
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1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
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magnesium bis(4-methylbenzenesulfonate)
CID 12011810
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
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imino-bis(4-methylphenyl)-oxo-λ6-sulfane
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Frequently Asked Questions

What is the IUPAC name of CID 173032545?
The IUPAC name of CID 173032545 (CID 173032545) is not available.
What is the SMILES notation for CID 173032545?
The canonical SMILES for CID 173032545 is Cc1ccc(S(=O)(=O)[SiH2])cc1.
What is the InChIKey of CID 173032545?
The InChIKey is VDSYBUXNVKUIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O2SSi/c1-6-2-4-7(5-3-6)10(8,9)11/h2-5H,11H2,1H3.
What are the key properties of CID 173032545?
CID 173032545 has a molecular weight of 185.30 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173032545 is sourced from PubChem (CID 173032545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).