(4-bromo-1,3-thiazol-2-yl)-tributylstannane

C15H28BrNSSn — CID 11048687

IUPAC(4-bromo-1,3-thiazol-2-yl)-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nc(Br)cs1
InChIInChI=1S/3C4H9.C3HBrNS.Sn/c3*1-3-4-2;4-3-1-6-2-5-3;/h3*1,3-4H2,2H3;1H;
InChIKeyZBBDCVVDIHDNRL-UHFFFAOYSA-N
MW453.08 g/mol
LogP5.96
Rot. Bonds10

About (4-bromo-1,3-thiazol-2-yl)-tributylstannane

(4-bromo-1,3-thiazol-2-yl)-tributylstannane (PubChem CID 11048687) has the molecular formula C15H28BrNSSn and a molecular weight of 453.08 g/mol. Its IUPAC name is (4-bromo-1,3-thiazol-2-yl)-tributylstannane.

Molecular Properties

Compound Name(4-bromo-1,3-thiazol-2-yl)-tributylstannane
PubChem CID11048687
Molecular FormulaC15H28BrNSSn
Molecular Weight453.08 g/mol
Exact Mass453.01
IUPAC Name(4-bromo-1,3-thiazol-2-yl)-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nc(Br)cs1
InChIInChI=1S/3C4H9.C3HBrNS.Sn/c3*1-3-4-2;4-3-1-6-2-5-3;/h3*1,3-4H2,2H3;1H;
InChIKeyZBBDCVVDIHDNRL-UHFFFAOYSA-N
XLogP5.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.08
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-thiazol-2-yl)-tributylstannane?
The IUPAC name of (4-bromo-1,3-thiazol-2-yl)-tributylstannane (CID 11048687) is (4-bromo-1,3-thiazol-2-yl)-tributylstannane.
What is the SMILES notation for (4-bromo-1,3-thiazol-2-yl)-tributylstannane?
The canonical SMILES for (4-bromo-1,3-thiazol-2-yl)-tributylstannane is CCCC[Sn](CCCC)(CCCC)c1nc(Br)cs1.
What is the InChIKey of (4-bromo-1,3-thiazol-2-yl)-tributylstannane?
The InChIKey is ZBBDCVVDIHDNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.C3HBrNS.Sn/c3*1-3-4-2;4-3-1-6-2-5-3;/h3*1,3-4H2,2H3;1H;.
What are the key properties of (4-bromo-1,3-thiazol-2-yl)-tributylstannane?
(4-bromo-1,3-thiazol-2-yl)-tributylstannane has a molecular weight of 453.08 g/mol, XLogP of 5.96, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,3-thiazol-2-yl)-tributylstannane is sourced from PubChem (CID 11048687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).