(4-tributylstannyl-1,3-thiazol-2-yl)methanol

C16H31NOSSn — CID 11811539

IUPAC(4-tributylstannyl-1,3-thiazol-2-yl)methanol
SMILESCCCC[Sn](CCCC)(CCCC)c1csc(CO)n1
InChIInChI=1S/C4H4NOS.3C4H9.Sn/c6-3-4-5-1-2-7-4;3*1-3-4-2;/h2,6H,3H2;3*1,3-4H2,2H3;
InChIKeyMRRNSZJYKHMKNG-UHFFFAOYSA-N
MW404.21 g/mol
LogP4.69
Rot. Bonds11

About (4-tributylstannyl-1,3-thiazol-2-yl)methanol

(4-tributylstannyl-1,3-thiazol-2-yl)methanol (PubChem CID 11811539) has the molecular formula C16H31NOSSn and a molecular weight of 404.21 g/mol. Its IUPAC name is (4-tributylstannyl-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(4-tributylstannyl-1,3-thiazol-2-yl)methanol
PubChem CID11811539
Molecular FormulaC16H31NOSSn
Molecular Weight404.21 g/mol
Exact Mass405.11
IUPAC Name(4-tributylstannyl-1,3-thiazol-2-yl)methanol
SMILESCCCC[Sn](CCCC)(CCCC)c1csc(CO)n1
InChIInChI=1S/C4H4NOS.3C4H9.Sn/c6-3-4-5-1-2-7-4;3*1-3-4-2;/h2,6H,3H2;3*1,3-4H2,2H3;
InChIKeyMRRNSZJYKHMKNG-UHFFFAOYSA-N
XLogP4.69
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.21
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-tributylstannyl-1,3-thiazol-2-yl)methanol?
The IUPAC name of (4-tributylstannyl-1,3-thiazol-2-yl)methanol (CID 11811539) is (4-tributylstannyl-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (4-tributylstannyl-1,3-thiazol-2-yl)methanol?
The canonical SMILES for (4-tributylstannyl-1,3-thiazol-2-yl)methanol is CCCC[Sn](CCCC)(CCCC)c1csc(CO)n1.
What is the InChIKey of (4-tributylstannyl-1,3-thiazol-2-yl)methanol?
The InChIKey is MRRNSZJYKHMKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4NOS.3C4H9.Sn/c6-3-4-5-1-2-7-4;3*1-3-4-2;/h2,6H,3H2;3*1,3-4H2,2H3;.
What are the key properties of (4-tributylstannyl-1,3-thiazol-2-yl)methanol?
(4-tributylstannyl-1,3-thiazol-2-yl)methanol has a molecular weight of 404.21 g/mol, XLogP of 4.69, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tributylstannyl-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 11811539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).