[2-[2-[(dimethylamino)methyl]-4-tributylstannylphenyl]sulfanylphenyl]methanol

C28H45NOSSn — CID 71521438

IUPAC[2-[2-[(dimethylamino)methyl]-4-tributylstannylphenyl]sulfanylphenyl]methanol
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(Sc2ccccc2CO)c(CN(C)C)c1
InChIInChI=1S/C16H18NOS.3C4H9.Sn/c1-17(2)11-13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)12-18;3*1-3-4-2;/h4-10,18H,11-12H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyOOMFEBSDHCXFMD-UHFFFAOYSA-N
MW562.45 g/mol
LogP7.45
Rot. Bonds15

About [2-[2-[(dimethylamino)methyl]-4-tributylstannylphenyl]sulfanylphenyl]methanol

[2-[2-[(dimethylamino)methyl]-4-tributylstannylphenyl]sulfanylphenyl]methanol (PubChem CID 71521438) has the molecular formula C28H45NOSSn and a molecular weight of 562.45 g/mol. Its IUPAC name is [2-[2-[(dimethylamino)methyl]-4-tributylstannylphenyl]sulfanylphenyl]methanol.

Molecular Properties

Compound Name[2-[2-[(dimethylamino)methyl]-4-tributylstannylphenyl]sulfanylphenyl]methanol
PubChem CID71521438
Molecular FormulaC28H45NOSSn
Molecular Weight562.45 g/mol
Exact Mass563.22
IUPAC Name[2-[2-[(dimethylamino)methyl]-4-tributylstannylphenyl]sulfanylphenyl]methanol
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(Sc2ccccc2CO)c(CN(C)C)c1
InChIInChI=1S/C16H18NOS.3C4H9.Sn/c1-17(2)11-13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)12-18;3*1-3-4-2;/h4-10,18H,11-12H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyOOMFEBSDHCXFMD-UHFFFAOYSA-N
XLogP7.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.45
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[2-[(dimethylamino)methyl]phenyl]sulfanyl-5-tributylstannylphenyl]carbamate
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[3-amino-4-[2-[(dimethylamino)methyl]phenyl]sulfanylphenyl]methanol;oxalic acid
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1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine
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Frequently Asked Questions

What is the IUPAC name of [2-[2-[(dimethylamino)methyl]-4-tributylstannylphenyl]sulfanylphenyl]methanol?
The IUPAC name of [2-[2-[(dimethylamino)methyl]-4-tributylstannylphenyl]sulfanylphenyl]methanol (CID 71521438) is [2-[2-[(dimethylamino)methyl]-4-tributylstannylphenyl]sulfanylphenyl]methanol.
What is the SMILES notation for [2-[2-[(dimethylamino)methyl]-4-tributylstannylphenyl]sulfanylphenyl]methanol?
The canonical SMILES for [2-[2-[(dimethylamino)methyl]-4-tributylstannylphenyl]sulfanylphenyl]methanol is CCCC[Sn](CCCC)(CCCC)c1ccc(Sc2ccccc2CO)c(CN(C)C)c1.
What is the InChIKey of [2-[2-[(dimethylamino)methyl]-4-tributylstannylphenyl]sulfanylphenyl]methanol?
The InChIKey is OOMFEBSDHCXFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18NOS.3C4H9.Sn/c1-17(2)11-13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)12-18;3*1-3-4-2;/h4-10,18H,11-12H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of [2-[2-[(dimethylamino)methyl]-4-tributylstannylphenyl]sulfanylphenyl]methanol?
[2-[2-[(dimethylamino)methyl]-4-tributylstannylphenyl]sulfanylphenyl]methanol has a molecular weight of 562.45 g/mol, XLogP of 7.45, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(dimethylamino)methyl]-4-tributylstannylphenyl]sulfanylphenyl]methanol is sourced from PubChem (CID 71521438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).