1,3-benzothiazol-5-yl(tributyl)stannane

C19H31NSSn — CID 151446797

IUPAC1,3-benzothiazol-5-yl(tributyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc2scnc2c1
InChIInChI=1S/C7H4NS.3C4H9.Sn/c1-2-4-7-6(3-1)8-5-9-7;3*1-3-4-2;/h2-5H;3*1,3-4H2,2H3;
InChIKeyPFQYOBKFEQFHLK-UHFFFAOYSA-N
MW424.24 g/mol
LogP6.35
Rot. Bonds10

About 1,3-benzothiazol-5-yl(tributyl)stannane

1,3-benzothiazol-5-yl(tributyl)stannane (PubChem CID 151446797) has the molecular formula C19H31NSSn and a molecular weight of 424.24 g/mol. Its IUPAC name is 1,3-benzothiazol-5-yl(tributyl)stannane.

Molecular Properties

Compound Name1,3-benzothiazol-5-yl(tributyl)stannane
PubChem CID151446797
Molecular FormulaC19H31NSSn
Molecular Weight424.24 g/mol
Exact Mass425.12
IUPAC Name1,3-benzothiazol-5-yl(tributyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc2scnc2c1
InChIInChI=1S/C7H4NS.3C4H9.Sn/c1-2-4-7-6(3-1)8-5-9-7;3*1-3-4-2;/h2-5H;3*1,3-4H2,2H3;
InChIKeyPFQYOBKFEQFHLK-UHFFFAOYSA-N
XLogP6.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.24
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-pentan-3-yl-1,3-benzothiazole
CID 142928032
azane;5-methyl-1,3-benzothiazole
CID 174920703
1,3-benzothiazole;1-bromopentane
CID 174559857
CID 131664049
CID 131664049
1,3-benzothiazole;1-chloropentane;hydrofluoride
CID 175535097
1,3-benzothiazol-5-ol
CID 3596506
1,3-benzothiazole-5-thiol
CID 14944486
N,N-dimethyl-1,3-benzothiazol-5-amine
CID 22609017
N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide
CID 18585507
ethane;5-propan-2-yl-1,3-benzothiazole
CID 144711218
5-(3-methylbutyl)-1,3-benzothiazole
CID 58439655
1-(1,3-benzothiazol-5-yl)ethanol
CID 45077207

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-5-yl(tributyl)stannane?
The IUPAC name of 1,3-benzothiazol-5-yl(tributyl)stannane (CID 151446797) is 1,3-benzothiazol-5-yl(tributyl)stannane.
What is the SMILES notation for 1,3-benzothiazol-5-yl(tributyl)stannane?
The canonical SMILES for 1,3-benzothiazol-5-yl(tributyl)stannane is CCCC[Sn](CCCC)(CCCC)c1ccc2scnc2c1.
What is the InChIKey of 1,3-benzothiazol-5-yl(tributyl)stannane?
The InChIKey is PFQYOBKFEQFHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4NS.3C4H9.Sn/c1-2-4-7-6(3-1)8-5-9-7;3*1-3-4-2;/h2-5H;3*1,3-4H2,2H3;.
What are the key properties of 1,3-benzothiazol-5-yl(tributyl)stannane?
1,3-benzothiazol-5-yl(tributyl)stannane has a molecular weight of 424.24 g/mol, XLogP of 6.35, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-5-yl(tributyl)stannane is sourced from PubChem (CID 151446797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).