tributyl-[2-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]stannane

C25H36OS2Sn — CID 142513471

IUPACtributyl-[2-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc2sc(-c3ccc(OC)cc3)cc2s1
InChIInChI=1S/C13H9OS2.3C4H9.Sn/c1-14-10-4-2-9(3-5-10)12-8-13-11(16-12)6-7-15-13;3*1-3-4-2;/h2-6,8H,1H3;3*1,3-4H2,2H3;
InChIKeyPHHNNGYWYTYRPB-UHFFFAOYSA-N
MW535.41 g/mol
LogP8.69
Rot. Bonds12

About tributyl-[2-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]stannane

tributyl-[2-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]stannane (PubChem CID 142513471) has the molecular formula C25H36OS2Sn and a molecular weight of 535.41 g/mol. Its IUPAC name is tributyl-[2-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]stannane.

Molecular Properties

Compound Nametributyl-[2-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]stannane
PubChem CID142513471
Molecular FormulaC25H36OS2Sn
Molecular Weight535.41 g/mol
Exact Mass536.12
IUPAC Nametributyl-[2-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc2sc(-c3ccc(OC)cc3)cc2s1
InChIInChI=1S/C13H9OS2.3C4H9.Sn/c1-14-10-4-2-9(3-5-10)12-8-13-11(16-12)6-7-15-13;3*1-3-4-2;/h2-6,8H,1H3;3*1,3-4H2,2H3;
InChIKeyPHHNNGYWYTYRPB-UHFFFAOYSA-N
XLogP8.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.41
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tributyl-(4-methoxyphenyl)stannane
CID 2762547
N,N-bis(4-methoxyphenyl)-5-tributylstannylthiophen-2-amine
CID 156653524
2-chloro-3-hexyl-5-(4-methoxyphenyl)thiophene
CID 102205396
5-(4-methoxyphenyl)thieno[3,2-b]thiophene
CID 135070727
2-butyl-5-(4-methoxyphenyl)thiophene
CID 101473574
2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
N-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-yl-N-(4-thieno[3,2-b]thiophen-5-ylphenyl)aniline
CID 118274774
2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene
CID 132513911
2-hexyl-5-(4-methoxyphenyl)thiophene
CID 70491963
2-ethyl-5-(4-methoxyphenyl)thiophene
CID 21064460
2-(4-methoxyphenyl)thieno[3,2-e][1]benzothiole-7-carbaldehyde
CID 102590208
2-(4-methylphenyl)-5-(4-octylphenyl)thieno[3,2-b]thiophene
CID 130318443

Frequently Asked Questions

What is the IUPAC name of tributyl-[2-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]stannane?
The IUPAC name of tributyl-[2-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]stannane (CID 142513471) is tributyl-[2-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]stannane.
What is the SMILES notation for tributyl-[2-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]stannane?
The canonical SMILES for tributyl-[2-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1cc2sc(-c3ccc(OC)cc3)cc2s1.
What is the InChIKey of tributyl-[2-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]stannane?
The InChIKey is PHHNNGYWYTYRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9OS2.3C4H9.Sn/c1-14-10-4-2-9(3-5-10)12-8-13-11(16-12)6-7-15-13;3*1-3-4-2;/h2-6,8H,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[2-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]stannane?
tributyl-[2-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]stannane has a molecular weight of 535.41 g/mol, XLogP of 8.69, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[2-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]stannane is sourced from PubChem (CID 142513471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).