1,3-benzothiazol-2-yl(triphenyl)stannane

C25H19NSSn — CID 4106139

IUPAC1,3-benzothiazol-2-yl(triphenyl)stannane
SMILESc1ccc([Sn](c2ccccc2)(c2ccccc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C7H4NS.3C6H5.Sn/c1-2-4-7-6(3-1)8-5-9-7;3*1-2-4-6-5-3-1;/h1-4H;3*1-5H;
InChIKeyJMXLIKMDMJOISI-UHFFFAOYSA-N
MW484.21 g/mol
LogP3.67
Rot. Bonds4

About 1,3-benzothiazol-2-yl(triphenyl)stannane

1,3-benzothiazol-2-yl(triphenyl)stannane (PubChem CID 4106139) has the molecular formula C25H19NSSn and a molecular weight of 484.21 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl(triphenyl)stannane.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl(triphenyl)stannane
PubChem CID4106139
Molecular FormulaC25H19NSSn
Molecular Weight484.21 g/mol
Exact Mass485.03
IUPAC Name1,3-benzothiazol-2-yl(triphenyl)stannane
SMILESc1ccc([Sn](c2ccccc2)(c2ccccc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C7H4NS.3C6H5.Sn/c1-2-4-7-6(3-1)8-5-9-7;3*1-2-4-6-5-3-1;/h1-4H;3*1-5H;
InChIKeyJMXLIKMDMJOISI-UHFFFAOYSA-N
XLogP3.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.21
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1,3-benzothiazole;hydrazine
CID 174709808
2-[2-(1,3-benzothiazol-2-yl)propan-2-yl]-1,3-benzothiazole
CID 11781873
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
zinc 1,3-benzothiazole-2-thiolate
CID 25200224
2-methylsulfanyloxy-1,3-benzothiazole
CID 175220247
2-ethyl-1,3-benzothiazole
CID 123878265
N-naphthalen-2-yl-1,3-benzothiazol-2-amine
CID 54164580
2-[(R)-phenylsulfinyl]-1,3-benzothiazole
CID 99868112
N-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 25239704
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
acetic acid;1,3-benzothiazol-2-amine
CID 172786962
N-(4-bromo-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 175655892

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl(triphenyl)stannane?
The IUPAC name of 1,3-benzothiazol-2-yl(triphenyl)stannane (CID 4106139) is 1,3-benzothiazol-2-yl(triphenyl)stannane.
What is the SMILES notation for 1,3-benzothiazol-2-yl(triphenyl)stannane?
The canonical SMILES for 1,3-benzothiazol-2-yl(triphenyl)stannane is c1ccc([Sn](c2ccccc2)(c2ccccc2)c2nc3ccccc3s2)cc1.
What is the InChIKey of 1,3-benzothiazol-2-yl(triphenyl)stannane?
The InChIKey is JMXLIKMDMJOISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4NS.3C6H5.Sn/c1-2-4-7-6(3-1)8-5-9-7;3*1-2-4-6-5-3-1;/h1-4H;3*1-5H;.
What are the key properties of 1,3-benzothiazol-2-yl(triphenyl)stannane?
1,3-benzothiazol-2-yl(triphenyl)stannane has a molecular weight of 484.21 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl(triphenyl)stannane is sourced from PubChem (CID 4106139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).