tributyl-(2-methylsulfonyl-1,3-thiazol-4-yl)stannane

C16H31NO2S2Sn — CID 46840022

IUPACtributyl-(2-methylsulfonyl-1,3-thiazol-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1csc(S(C)(=O)=O)n1
InChIInChI=1S/C4H4NO2S2.3C4H9.Sn/c1-9(6,7)4-5-2-3-8-4;3*1-3-4-2;/h3H,1H3;3*1,3-4H2,2H3;
InChIKeyQVPQZKBRXRVABD-UHFFFAOYSA-N
MW452.27 g/mol
LogP4.60
Rot. Bonds11

About tributyl-(2-methylsulfonyl-1,3-thiazol-4-yl)stannane

tributyl-(2-methylsulfonyl-1,3-thiazol-4-yl)stannane (PubChem CID 46840022) has the molecular formula C16H31NO2S2Sn and a molecular weight of 452.27 g/mol. Its IUPAC name is tributyl-(2-methylsulfonyl-1,3-thiazol-4-yl)stannane.

Molecular Properties

Compound Nametributyl-(2-methylsulfonyl-1,3-thiazol-4-yl)stannane
PubChem CID46840022
Molecular FormulaC16H31NO2S2Sn
Molecular Weight452.27 g/mol
Exact Mass453.08
IUPAC Nametributyl-(2-methylsulfonyl-1,3-thiazol-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1csc(S(C)(=O)=O)n1
InChIInChI=1S/C4H4NO2S2.3C4H9.Sn/c1-9(6,7)4-5-2-3-8-4;3*1-3-4-2;/h3H,1H3;3*1,3-4H2,2H3;
InChIKeyQVPQZKBRXRVABD-UHFFFAOYSA-N
XLogP4.60
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.27
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Isopropylthio-4-methylsulfonyloxy-1,3-thiazole
CID 13914034
2-Isopropylsulfonyl-4-methylsulfonyloxy-1,3-thiazole
CID 13914039
2-Sec-butylthio-4-methylsulfonyloxy-1,3-thiazole
CID 13914052
2-Sec-butylsulfinyl-4-methylsulfonyloxy-1,3-thiazole
CID 13914065
2-(Methylthio)-4-(tributylstannyl)thiazole
CID 46840003
4-Ethylsulfonyl-2-methyl-1,3-thiazole
CID 67482150
4-Iodo-2-methylsulfonyl-1,3-thiazole
CID 69399656
2-Methyl-4-propan-2-ylsulfonyl-1,3-thiazole
CID 90717107
4-Bromo-2-propan-2-ylsulfonyl-1,3-thiazole
CID 117189196
5-Butylnonan-5-yl-(2-methylsulfonyl-1,3-thiazol-4-yl)tin
CID 141730166
Ethane;2-ethyl-4-methylsulfonyl-1,3-thiazole
CID 153568084
2-Propan-2-ylsulfonyl-1,3-thiazole-4-sulfonyl chloride
CID 170607911

Frequently Asked Questions

What is the IUPAC name of tributyl-(2-methylsulfonyl-1,3-thiazol-4-yl)stannane?
The IUPAC name of tributyl-(2-methylsulfonyl-1,3-thiazol-4-yl)stannane (CID 46840022) is tributyl-(2-methylsulfonyl-1,3-thiazol-4-yl)stannane.
What is the SMILES notation for tributyl-(2-methylsulfonyl-1,3-thiazol-4-yl)stannane?
The canonical SMILES for tributyl-(2-methylsulfonyl-1,3-thiazol-4-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1csc(S(C)(=O)=O)n1.
What is the InChIKey of tributyl-(2-methylsulfonyl-1,3-thiazol-4-yl)stannane?
The InChIKey is QVPQZKBRXRVABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4NO2S2.3C4H9.Sn/c1-9(6,7)4-5-2-3-8-4;3*1-3-4-2;/h3H,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(2-methylsulfonyl-1,3-thiazol-4-yl)stannane?
tributyl-(2-methylsulfonyl-1,3-thiazol-4-yl)stannane has a molecular weight of 452.27 g/mol, XLogP of 4.60, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2-methylsulfonyl-1,3-thiazol-4-yl)stannane is sourced from PubChem (CID 46840022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).