[(1R)-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethyl]-triphenylstannane

C33H30OSSn — CID 25260036

IUPAC[(1R)-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethyl]-triphenylstannane
SMILESCc1ccc([S@](=O)c2ccccc2[C@@H](C)[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C15H15OS.3C6H5.Sn/c1-3-13-6-4-5-7-15(13)17(16)14-10-8-12(2)9-11-14;3*1-2-4-6-5-3-1;/h3-11H,1-2H3;3*1-5H;/t17-;;;;/m0..../s1
InChIKeyNLZYQPJMTQLONX-UYVPJCOTSA-N
MW593.38 g/mol
LogP5.97
Rot. Bonds7

About [(1R)-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethyl]-triphenylstannane

[(1R)-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethyl]-triphenylstannane (PubChem CID 25260036) has the molecular formula C33H30OSSn and a molecular weight of 593.38 g/mol. Its IUPAC name is [(1R)-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethyl]-triphenylstannane.

Molecular Properties

Compound Name[(1R)-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethyl]-triphenylstannane
PubChem CID25260036
Molecular FormulaC33H30OSSn
Molecular Weight593.38 g/mol
Exact Mass594.10
IUPAC Name[(1R)-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethyl]-triphenylstannane
SMILESCc1ccc([S@](=O)c2ccccc2[C@@H](C)[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C15H15OS.3C6H5.Sn/c1-3-13-6-4-5-7-15(13)17(16)14-10-8-12(2)9-11-14;3*1-2-4-6-5-3-1;/h3-11H,1-2H3;3*1-5H;/t17-;;;;/m0..../s1
InChIKeyNLZYQPJMTQLONX-UYVPJCOTSA-N
XLogP5.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.38
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethyl]-triphenylstannane?
The IUPAC name of [(1R)-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethyl]-triphenylstannane (CID 25260036) is [(1R)-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethyl]-triphenylstannane.
What is the SMILES notation for [(1R)-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethyl]-triphenylstannane?
The canonical SMILES for [(1R)-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethyl]-triphenylstannane is Cc1ccc([S@](=O)c2ccccc2[C@@H](C)[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(1R)-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethyl]-triphenylstannane?
The InChIKey is NLZYQPJMTQLONX-UYVPJCOTSA-N. The full InChI is InChI=1S/C15H15OS.3C6H5.Sn/c1-3-13-6-4-5-7-15(13)17(16)14-10-8-12(2)9-11-14;3*1-2-4-6-5-3-1;/h3-11H,1-2H3;3*1-5H;/t17-;;;;/m0..../s1.
What are the key properties of [(1R)-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethyl]-triphenylstannane?
[(1R)-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethyl]-triphenylstannane has a molecular weight of 593.38 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethyl]-triphenylstannane is sourced from PubChem (CID 25260036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).