tributyl-(4-pentylthiophen-2-yl)stannane

C21H40SSn — CID 176916017

IUPACtributyl-(4-pentylthiophen-2-yl)stannane
SMILESCCCCCc1csc([Sn](CCCC)(CCCC)CCCC)c1
InChIInChI=1S/C9H13S.3C4H9.Sn/c1-2-3-4-5-9-6-7-10-8-9;3*1-3-4-2;/h6,8H,2-5H2,1H3;3*1,3-4H2,2H3;
InChIKeyJTGZXMTWBCHVFU-UHFFFAOYSA-N
MW443.33 g/mol
LogP7.54
Rot. Bonds14

About tributyl-(4-pentylthiophen-2-yl)stannane

tributyl-(4-pentylthiophen-2-yl)stannane (PubChem CID 176916017) has the molecular formula C21H40SSn and a molecular weight of 443.33 g/mol. Its IUPAC name is tributyl-(4-pentylthiophen-2-yl)stannane.

Molecular Properties

Compound Nametributyl-(4-pentylthiophen-2-yl)stannane
PubChem CID176916017
Molecular FormulaC21H40SSn
Molecular Weight443.33 g/mol
Exact Mass444.19
IUPAC Nametributyl-(4-pentylthiophen-2-yl)stannane
SMILESCCCCCc1csc([Sn](CCCC)(CCCC)CCCC)c1
InChIInChI=1S/C9H13S.3C4H9.Sn/c1-2-3-4-5-9-6-7-10-8-9;3*1-3-4-2;/h6,8H,2-5H2,1H3;3*1,3-4H2,2H3;
InChIKeyJTGZXMTWBCHVFU-UHFFFAOYSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.33
LogP ≤ 57.54
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

4-nonyl-2-(4-nonylthiophen-2-yl)thiophene
CID 139119009
tributyl-(5-pentylthiophen-3-yl)stannane
CID 172559357
disodium;(4-octylthiophen-2-yl)-dioxidoborane
CID 177471091
2-hexyl-1-(5-tributylstannylthiophen-3-yl)decan-1-one
CID 175026289
4-butyl-2-methylthiophene
CID 59065430
tributyl-(5-dodecylthiophen-2-yl)stannane
CID 68652035
4-hexyl-2-[4-(4-hexylthiophen-2-yl)-2,5-dimethylphenyl]thiophene
CID 101038762
sodium (4-dodecylthiophen-2-yl)-trihydroxyboranuide
CID 23697394
4-dodecylthiophene-2-carboxylic acid
CID 70496185
4-hexyl-2-(4-methylphenyl)thiophene
CID 102312853
tert-butyl-(4-dodecylthiophen-2-yl)tin
CID 141271946
4-ethyl-2-pentylthiophene
CID 10976132

Frequently Asked Questions

What is the IUPAC name of tributyl-(4-pentylthiophen-2-yl)stannane?
The IUPAC name of tributyl-(4-pentylthiophen-2-yl)stannane (CID 176916017) is tributyl-(4-pentylthiophen-2-yl)stannane.
What is the SMILES notation for tributyl-(4-pentylthiophen-2-yl)stannane?
The canonical SMILES for tributyl-(4-pentylthiophen-2-yl)stannane is CCCCCc1csc([Sn](CCCC)(CCCC)CCCC)c1.
What is the InChIKey of tributyl-(4-pentylthiophen-2-yl)stannane?
The InChIKey is JTGZXMTWBCHVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13S.3C4H9.Sn/c1-2-3-4-5-9-6-7-10-8-9;3*1-3-4-2;/h6,8H,2-5H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(4-pentylthiophen-2-yl)stannane?
tributyl-(4-pentylthiophen-2-yl)stannane has a molecular weight of 443.33 g/mol, XLogP of 7.54, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(4-pentylthiophen-2-yl)stannane is sourced from PubChem (CID 176916017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).