CID 175096561

C17H20ClO2SSi — CID 175096561

IUPAC—
SMILESCOc1ccc(CSc2cc(O[Si](C)C)cc(Cl)c2C)cc1
InChIInChI=1S/C17H20ClO2SSi/c1-12-16(18)9-15(20-22(3)4)10-17(12)21-11-13-5-7-14(19-2)8-6-13/h5-10H,11H2,1-4H3
InChIKeyOESMUTSPAXHUTJ-UHFFFAOYSA-N
MW351.95 g/mol
LogP5.58
Rot. Bonds6

About CID 175096561

CID 175096561 (PubChem CID 175096561) has the molecular formula C17H20ClO2SSi and a molecular weight of 351.95 g/mol.

Molecular Properties

Compound NameCID 175096561
PubChem CID175096561
Molecular FormulaC17H20ClO2SSi
Molecular Weight351.95 g/mol
Exact Mass351.06
IUPAC Name—
SMILESCOc1ccc(CSc2cc(O[Si](C)C)cc(Cl)c2C)cc1
InChIInChI=1S/C17H20ClO2SSi/c1-12-16(18)9-15(20-22(3)4)10-17(12)21-11-13-5-7-14(19-2)8-6-13/h5-10H,11H2,1-4H3
InChIKeyOESMUTSPAXHUTJ-UHFFFAOYSA-N
XLogP5.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.95
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene
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CID 144942849
4-methoxy-2-[(4-propan-2-ylphenyl)methylsulfanyl]aniline
CID 79519175
2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene
CID 63520416
1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 132500103
2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene
CID 63434589
4-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 79148342
5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 43304406
3,6-dimethoxy-4-[(4-methoxyphenyl)methylsulfanyl]pyridazine
CID 168898782
2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline
CID 79519098

Frequently Asked Questions

What is the IUPAC name of CID 175096561?
The IUPAC name of CID 175096561 (CID 175096561) is not available.
What is the SMILES notation for CID 175096561?
The canonical SMILES for CID 175096561 is COc1ccc(CSc2cc(O[Si](C)C)cc(Cl)c2C)cc1.
What is the InChIKey of CID 175096561?
The InChIKey is OESMUTSPAXHUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClO2SSi/c1-12-16(18)9-15(20-22(3)4)10-17(12)21-11-13-5-7-14(19-2)8-6-13/h5-10H,11H2,1-4H3.
What are the key properties of CID 175096561?
CID 175096561 has a molecular weight of 351.95 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175096561 is sourced from PubChem (CID 175096561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).