4-(4-tert-butylphenyl)sulfanylbutyl-trimethylstannane

C17H30SSn — CID 12901380

IUPAC4-(4-tert-butylphenyl)sulfanylbutyl-trimethylstannane
SMILESCC(C)(C)c1ccc(SCCCC[Sn](C)(C)C)cc1
InChIInChI=1S/C14H21S.3CH3.Sn/c1-5-6-11-15-13-9-7-12(8-10-13)14(2,3)4;;;;/h7-10H,1,5-6,11H2,2-4H3;3*1H3;
InChIKeyGTTMYDGAWJADTL-UHFFFAOYSA-N
MW385.21 g/mol
LogP6.19
Rot. Bonds6

About 4-(4-tert-butylphenyl)sulfanylbutyl-trimethylstannane

4-(4-tert-butylphenyl)sulfanylbutyl-trimethylstannane (PubChem CID 12901380) has the molecular formula C17H30SSn and a molecular weight of 385.21 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)sulfanylbutyl-trimethylstannane.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)sulfanylbutyl-trimethylstannane
PubChem CID12901380
Molecular FormulaC17H30SSn
Molecular Weight385.21 g/mol
Exact Mass386.11
IUPAC Name4-(4-tert-butylphenyl)sulfanylbutyl-trimethylstannane
SMILESCC(C)(C)c1ccc(SCCCC[Sn](C)(C)C)cc1
InChIInChI=1S/C14H21S.3CH3.Sn/c1-5-6-11-15-13-9-7-12(8-10-13)14(2,3)4;;;;/h7-10H,1,5-6,11H2,2-4H3;3*1H3;
InChIKeyGTTMYDGAWJADTL-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.21
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-4-[2-(4-tert-butylphenyl)sulfanylethylsulfanyl]benzene
CID 12781251
1-tert-butyl-4-propylsulfanylbenzene
CID 86200196
5-(4-tert-butylphenyl)sulfanylpentan-2-one
CID 43425963
4-(4-tert-butylphenyl)sulfanylbutanoic acid
CID 20986950
3-(aminomethyl)-6-(4-tert-butylphenyl)sulfanylhexan-3-ol
CID 106811630
1-heptylsulfanyl-4-(trifluoromethyl)benzene
CID 167002826
2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol
CID 61076775
4-[2-(4-tert-butylphenyl)sulfanylethyl]aniline
CID 43519822
N-[2-(4-tert-butylphenyl)sulfanylethyl]aniline
CID 63515630
4-(4-tert-butylphenyl)sulfanyl-1-(4-fluorophenyl)butan-1-amine;hydrochloride
CID 19996188
4-[2-(4-tert-butylphenyl)sulfanylethoxy]aniline
CID 43366413
N-[2-(4-tert-butylphenyl)sulfanylethyl]-4-chloroaniline
CID 63516291

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)sulfanylbutyl-trimethylstannane?
The IUPAC name of 4-(4-tert-butylphenyl)sulfanylbutyl-trimethylstannane (CID 12901380) is 4-(4-tert-butylphenyl)sulfanylbutyl-trimethylstannane.
What is the SMILES notation for 4-(4-tert-butylphenyl)sulfanylbutyl-trimethylstannane?
The canonical SMILES for 4-(4-tert-butylphenyl)sulfanylbutyl-trimethylstannane is CC(C)(C)c1ccc(SCCCC[Sn](C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)sulfanylbutyl-trimethylstannane?
The InChIKey is GTTMYDGAWJADTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21S.3CH3.Sn/c1-5-6-11-15-13-9-7-12(8-10-13)14(2,3)4;;;;/h7-10H,1,5-6,11H2,2-4H3;3*1H3;.
What are the key properties of 4-(4-tert-butylphenyl)sulfanylbutyl-trimethylstannane?
4-(4-tert-butylphenyl)sulfanylbutyl-trimethylstannane has a molecular weight of 385.21 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)sulfanylbutyl-trimethylstannane is sourced from PubChem (CID 12901380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).