tris(2-methylsulfanylpropanoate);methyltin(3+)

C13H24O6S3Sn — CID 162043920

IUPACtris(2-methylsulfanylpropanoate);methyltin(3+)
SMILESCSC(C)C(=O)[O-].CSC(C)C(=O)[O-].CSC(C)C(=O)[O-].C[Sn+3]
InChIInChI=1S/3C4H8O2S.CH3.Sn/c3*1-3(7-2)4(5)6;;/h3*3H,1-2H3,(H,5,6);1H3;/q;;;;+3/p-3
InChIKeyYXQGSJVTLGWVAG-UHFFFAOYSA-K
MW491.24 g/mol
LogP-1.33
Rot. Bonds6

About tris(2-methylsulfanylpropanoate);methyltin(3+)

tris(2-methylsulfanylpropanoate);methyltin(3+) (PubChem CID 162043920) has the molecular formula C13H24O6S3Sn and a molecular weight of 491.24 g/mol. Its IUPAC name is tris(2-methylsulfanylpropanoate);methyltin(3+).

Molecular Properties

Compound Nametris(2-methylsulfanylpropanoate);methyltin(3+)
PubChem CID162043920
Molecular FormulaC13H24O6S3Sn
Molecular Weight491.24 g/mol
Exact Mass491.98
IUPAC Nametris(2-methylsulfanylpropanoate);methyltin(3+)
SMILESCSC(C)C(=O)[O-].CSC(C)C(=O)[O-].CSC(C)C(=O)[O-].C[Sn+3]
InChIInChI=1S/3C4H8O2S.CH3.Sn/c3*1-3(7-2)4(5)6;;/h3*3H,1-2H3,(H,5,6);1H3;/q;;;;+3/p-3
InChIKeyYXQGSJVTLGWVAG-UHFFFAOYSA-K
XLogP-1.33
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.24
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

potassium 2-methylsulfanylpropanoate
CID 88802261
disodium;2-(1-carboxylatoethylsulfanyl)propanoate
CID 19787423
(2S,3S)-2-hydroxy-3-methylsulfanylbutanedioate
CID 172675806
2-methylsulfanylpropanethioic S-acid
CID 150375573
tris(2-cyclohexylsulfanylpropanoate);methyltin(3+)
CID 157157777
zinc bis(2-ethylsulfanylpropanoate)
CID 87181649
bis(methyltin(3+));tricarbonate
CID 161423309
barium(2+);bis(2-methylpropanoate)
CID 23219604
tris(2-methylpropanoate);thallium(3+)
CID 173444614
dilithium bis(2-methylpropanoate)
CID 86626069
dilithium;2-methylpropanedioate
CID 87066943
(2R,3R)-2,3-dimethylbutanedioate
CID 6950213

Frequently Asked Questions

What is the IUPAC name of tris(2-methylsulfanylpropanoate);methyltin(3+)?
The IUPAC name of tris(2-methylsulfanylpropanoate);methyltin(3+) (CID 162043920) is tris(2-methylsulfanylpropanoate);methyltin(3+).
What is the SMILES notation for tris(2-methylsulfanylpropanoate);methyltin(3+)?
The canonical SMILES for tris(2-methylsulfanylpropanoate);methyltin(3+) is CSC(C)C(=O)[O-].CSC(C)C(=O)[O-].CSC(C)C(=O)[O-].C[Sn+3].
What is the InChIKey of tris(2-methylsulfanylpropanoate);methyltin(3+)?
The InChIKey is YXQGSJVTLGWVAG-UHFFFAOYSA-K. The full InChI is InChI=1S/3C4H8O2S.CH3.Sn/c3*1-3(7-2)4(5)6;;/h3*3H,1-2H3,(H,5,6);1H3;/q;;;;+3/p-3.
What are the key properties of tris(2-methylsulfanylpropanoate);methyltin(3+)?
tris(2-methylsulfanylpropanoate);methyltin(3+) has a molecular weight of 491.24 g/mol, XLogP of -1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylsulfanylpropanoate);methyltin(3+) is sourced from PubChem (CID 162043920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).