tributyl-[5-(3,5-dimethylthiophen-2-yl)-4-methylthiophen-2-yl]stannane

C23H38S2Sn — CID 158274885

IUPACtributyl-[5-(3,5-dimethylthiophen-2-yl)-4-methylthiophen-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C)c(-c2sc(C)cc2C)s1
InChIInChI=1S/C11H11S2.3C4H9.Sn/c1-7-4-5-12-10(7)11-8(2)6-9(3)13-11;3*1-3-4-2;/h4,6H,1-3H3;3*1,3-4H2,2H3;
InChIKeyHPBHIZYLBQKKCN-UHFFFAOYSA-N
MW497.40 g/mol
LogP8.46
Rot. Bonds11

About tributyl-[5-(3,5-dimethylthiophen-2-yl)-4-methylthiophen-2-yl]stannane

tributyl-[5-(3,5-dimethylthiophen-2-yl)-4-methylthiophen-2-yl]stannane (PubChem CID 158274885) has the molecular formula C23H38S2Sn and a molecular weight of 497.40 g/mol. Its IUPAC name is tributyl-[5-(3,5-dimethylthiophen-2-yl)-4-methylthiophen-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[5-(3,5-dimethylthiophen-2-yl)-4-methylthiophen-2-yl]stannane
PubChem CID158274885
Molecular FormulaC23H38S2Sn
Molecular Weight497.40 g/mol
Exact Mass498.14
IUPAC Nametributyl-[5-(3,5-dimethylthiophen-2-yl)-4-methylthiophen-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C)c(-c2sc(C)cc2C)s1
InChIInChI=1S/C11H11S2.3C4H9.Sn/c1-7-4-5-12-10(7)11-8(2)6-9(3)13-11;3*1-3-4-2;/h4,6H,1-3H3;3*1,3-4H2,2H3;
InChIKeyHPBHIZYLBQKKCN-UHFFFAOYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.40
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tributyl-(3-methyl-5-tributylstannylthiophen-2-yl)stannane
CID 174722985
trimethyl-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]stannane
CID 158336022
tributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane
CID 139255137
trimethyl-(5-methyl-4-tributylstannylthiophen-2-yl)silane
CID 139715520
tributyl-(5-dodecylthiophen-2-yl)stannane
CID 68652035
dibutyl-(2-methyl-1,3-thiazol-5-yl)-propylstannane
CID 145083761
tributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane
CID 140799576
4-(3,5-dimethylthiophen-2-yl)-N,N-diethylaniline
CID 10563644
tributyl-(4-pentylthiophen-2-yl)stannane
CID 176916017
sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
tributyl-[2-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]stannane
CID 142513471
tributyl-(5-morpholin-4-ylthiophen-2-yl)stannane
CID 152759929

Frequently Asked Questions

What is the IUPAC name of tributyl-[5-(3,5-dimethylthiophen-2-yl)-4-methylthiophen-2-yl]stannane?
The IUPAC name of tributyl-[5-(3,5-dimethylthiophen-2-yl)-4-methylthiophen-2-yl]stannane (CID 158274885) is tributyl-[5-(3,5-dimethylthiophen-2-yl)-4-methylthiophen-2-yl]stannane.
What is the SMILES notation for tributyl-[5-(3,5-dimethylthiophen-2-yl)-4-methylthiophen-2-yl]stannane?
The canonical SMILES for tributyl-[5-(3,5-dimethylthiophen-2-yl)-4-methylthiophen-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1cc(C)c(-c2sc(C)cc2C)s1.
What is the InChIKey of tributyl-[5-(3,5-dimethylthiophen-2-yl)-4-methylthiophen-2-yl]stannane?
The InChIKey is HPBHIZYLBQKKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11S2.3C4H9.Sn/c1-7-4-5-12-10(7)11-8(2)6-9(3)13-11;3*1-3-4-2;/h4,6H,1-3H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[5-(3,5-dimethylthiophen-2-yl)-4-methylthiophen-2-yl]stannane?
tributyl-[5-(3,5-dimethylthiophen-2-yl)-4-methylthiophen-2-yl]stannane has a molecular weight of 497.40 g/mol, XLogP of 8.46, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[5-(3,5-dimethylthiophen-2-yl)-4-methylthiophen-2-yl]stannane is sourced from PubChem (CID 158274885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).