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

C15H30BrNSSn — CID 140619690

IUPAC(4-bromo-2,3-dihydro-1,3-thiazol-2-yl)-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)C1NC(Br)=CS1
InChIInChI=1S/3C4H9.C3H3BrNS.Sn/c3*1-3-4-2;4-3-1-6-2-5-3;/h3*1,3-4H2,2H3;1-2,5H;
InChIKeyXXHNIJHYIGYFHI-UHFFFAOYSA-N
MW455.09 g/mol
LogP6.23
Rot. Bonds10

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

(4-bromo-2,3-dihydro-1,3-thiazol-2-yl)-tributylstannane (PubChem CID 140619690) has the molecular formula C15H30BrNSSn and a molecular weight of 455.09 g/mol. Its IUPAC name is (4-bromo-2,3-dihydro-1,3-thiazol-2-yl)-tributylstannane.

Molecular Properties

Compound Name(4-bromo-2,3-dihydro-1,3-thiazol-2-yl)-tributylstannane
PubChem CID140619690
Molecular FormulaC15H30BrNSSn
Molecular Weight455.09 g/mol
Exact Mass455.03
IUPAC Name(4-bromo-2,3-dihydro-1,3-thiazol-2-yl)-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)C1NC(Br)=CS1
InChIInChI=1S/3C4H9.C3H3BrNS.Sn/c3*1-3-4-2;4-3-1-6-2-5-3;/h3*1,3-4H2,2H3;1-2,5H;
InChIKeyXXHNIJHYIGYFHI-UHFFFAOYSA-N
XLogP6.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.09
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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2,6-dibromo-5-dodecyl-3,4-dihydro-2H-thiopyran;ethane
CID 145013688
5-bromo-5-butylnonane
CID 23146783
tributyl-(2-deuterio-1,3-dithian-2-yl)stannane
CID 12015330
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10-bromo-7,7-dihexyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-carbaldehyde
CID 155291442
tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
tributyl(hexadecyl)stannane
CID 174658060
tribromo(butyl)stannane;dihydrate
CID 87907152
4-bromo-N-octyl-1,3-thiazol-2-amine
CID 115568968
[5-bromo-2-(5-bromo-3-hexylsilylidenethiophen-2-yl)thiophen-3-ylidene]-hexylsilane
CID 173069136

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,3-dihydro-1,3-thiazol-2-yl)-tributylstannane?
The IUPAC name of (4-bromo-2,3-dihydro-1,3-thiazol-2-yl)-tributylstannane (CID 140619690) is (4-bromo-2,3-dihydro-1,3-thiazol-2-yl)-tributylstannane.
What is the SMILES notation for (4-bromo-2,3-dihydro-1,3-thiazol-2-yl)-tributylstannane?
The canonical SMILES for (4-bromo-2,3-dihydro-1,3-thiazol-2-yl)-tributylstannane is CCCC[Sn](CCCC)(CCCC)C1NC(Br)=CS1.
What is the InChIKey of (4-bromo-2,3-dihydro-1,3-thiazol-2-yl)-tributylstannane?
The InChIKey is XXHNIJHYIGYFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.C3H3BrNS.Sn/c3*1-3-4-2;4-3-1-6-2-5-3;/h3*1,3-4H2,2H3;1-2,5H;.
What are the key properties of (4-bromo-2,3-dihydro-1,3-thiazol-2-yl)-tributylstannane?
(4-bromo-2,3-dihydro-1,3-thiazol-2-yl)-tributylstannane has a molecular weight of 455.09 g/mol, XLogP of 6.23, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,3-dihydro-1,3-thiazol-2-yl)-tributylstannane is sourced from PubChem (CID 140619690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).