butane;butyl-(2-methyl-1,3-thiazol-4-yl)tin

C16H33NSSn — CID 142340805

IUPACbutane;butyl-(2-methyl-1,3-thiazol-4-yl)tin
SMILESCCCC.CCCC.CCCC[Sn]c1csc(C)n1
InChIInChI=1S/C4H4NS.2C4H10.C4H9.Sn/c1-4-5-2-3-6-4;3*1-3-4-2;/h3H,1H3;2*3-4H2,1-2H3;1,3-4H2,2H3;
InChIKeyRXCMDWASKBHLNT-UHFFFAOYSA-N
MW390.23 g/mol
LogP5.61
Rot. Bonds6

About butane;butyl-(2-methyl-1,3-thiazol-4-yl)tin

butane;butyl-(2-methyl-1,3-thiazol-4-yl)tin (PubChem CID 142340805) has the molecular formula C16H33NSSn and a molecular weight of 390.23 g/mol. Its IUPAC name is butane;butyl-(2-methyl-1,3-thiazol-4-yl)tin.

Molecular Properties

Compound Namebutane;butyl-(2-methyl-1,3-thiazol-4-yl)tin
PubChem CID142340805
Molecular FormulaC16H33NSSn
Molecular Weight390.23 g/mol
Exact Mass391.14
IUPAC Namebutane;butyl-(2-methyl-1,3-thiazol-4-yl)tin
SMILESCCCC.CCCC.CCCC[Sn]c1csc(C)n1
InChIInChI=1S/C4H4NS.2C4H10.C4H9.Sn/c1-4-5-2-3-6-4;3*1-3-4-2;/h3H,1H3;2*3-4H2,1-2H3;1,3-4H2,2H3;
InChIKeyRXCMDWASKBHLNT-UHFFFAOYSA-N
XLogP5.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.23
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane;butyl-(2-methyl-1,3-thiazol-4-yl)tin?
The IUPAC name of butane;butyl-(2-methyl-1,3-thiazol-4-yl)tin (CID 142340805) is butane;butyl-(2-methyl-1,3-thiazol-4-yl)tin.
What is the SMILES notation for butane;butyl-(2-methyl-1,3-thiazol-4-yl)tin?
The canonical SMILES for butane;butyl-(2-methyl-1,3-thiazol-4-yl)tin is CCCC.CCCC.CCCC[Sn]c1csc(C)n1.
What is the InChIKey of butane;butyl-(2-methyl-1,3-thiazol-4-yl)tin?
The InChIKey is RXCMDWASKBHLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4NS.2C4H10.C4H9.Sn/c1-4-5-2-3-6-4;3*1-3-4-2;/h3H,1H3;2*3-4H2,1-2H3;1,3-4H2,2H3;.
What are the key properties of butane;butyl-(2-methyl-1,3-thiazol-4-yl)tin?
butane;butyl-(2-methyl-1,3-thiazol-4-yl)tin has a molecular weight of 390.23 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;butyl-(2-methyl-1,3-thiazol-4-yl)tin is sourced from PubChem (CID 142340805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).