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

C16H31NS2Sn — CID 46840003

IUPACtributyl-(2-methylsulfanyl-1,3-thiazol-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1csc(SC)n1
InChIInChI=1S/C4H4NS2.3C4H9.Sn/c1-6-4-5-2-3-7-4;3*1-3-4-2;/h3H,1H3;3*1,3-4H2,2H3;
InChIKeyDNYQPVUGIZBXHX-UHFFFAOYSA-N
MW420.28 g/mol
LogP5.92
Rot. Bonds11

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

tributyl-(2-methylsulfanyl-1,3-thiazol-4-yl)stannane (PubChem CID 46840003) has the molecular formula C16H31NS2Sn and a molecular weight of 420.28 g/mol. Its IUPAC name is tributyl-(2-methylsulfanyl-1,3-thiazol-4-yl)stannane.

Molecular Properties

Compound Nametributyl-(2-methylsulfanyl-1,3-thiazol-4-yl)stannane
PubChem CID46840003
Molecular FormulaC16H31NS2Sn
Molecular Weight420.28 g/mol
Exact Mass421.09
IUPAC Nametributyl-(2-methylsulfanyl-1,3-thiazol-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1csc(SC)n1
InChIInChI=1S/C4H4NS2.3C4H9.Sn/c1-6-4-5-2-3-7-4;3*1-3-4-2;/h3H,1H3;3*1,3-4H2,2H3;
InChIKeyDNYQPVUGIZBXHX-UHFFFAOYSA-N
XLogP5.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.28
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Tri-n-butylstannyl)thiazole
CID 2763258
4-Bromo-2-(tributylstannyl)-1,3-thiazole
CID 11048687
2-Ethoxy-4-(tributylstannyl)thiazole
CID 2763265
2-Methyl-4-(tributylstannyl)-1,3-thiazole
CID 16427137
Tributyl-(2-propan-2-yl-1,3-thiazol-4-yl)stannane
CID 12148683
2-(Methylsulfanyl)-4-(trimethylstannyl)-1,3-thiazole
CID 59118285
2-Methoxy-4-(tributylstannyl)thiazole
CID 2763264
Tributyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]stannane
CID 15540480
2-Ethylsulfanyl-4-fluoro-1,3-thiazole
CID 91210268
2-(Difluoromethyl)-4-(tributylstannyl)thiazole
CID 140735304
Tert-butyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]tin
CID 141001747
Dibutyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]-propylstannane
CID 144922933

Frequently Asked Questions

What is the IUPAC name of tributyl-(2-methylsulfanyl-1,3-thiazol-4-yl)stannane?
The IUPAC name of tributyl-(2-methylsulfanyl-1,3-thiazol-4-yl)stannane (CID 46840003) is tributyl-(2-methylsulfanyl-1,3-thiazol-4-yl)stannane.
What is the SMILES notation for tributyl-(2-methylsulfanyl-1,3-thiazol-4-yl)stannane?
The canonical SMILES for tributyl-(2-methylsulfanyl-1,3-thiazol-4-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1csc(SC)n1.
What is the InChIKey of tributyl-(2-methylsulfanyl-1,3-thiazol-4-yl)stannane?
The InChIKey is DNYQPVUGIZBXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4NS2.3C4H9.Sn/c1-6-4-5-2-3-7-4;3*1-3-4-2;/h3H,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(2-methylsulfanyl-1,3-thiazol-4-yl)stannane?
tributyl-(2-methylsulfanyl-1,3-thiazol-4-yl)stannane has a molecular weight of 420.28 g/mol, XLogP of 5.92, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2-methylsulfanyl-1,3-thiazol-4-yl)stannane is sourced from PubChem (CID 46840003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).