2-decylsulfanylacetate;tributylstannanylium

C24H50O2SSn — CID 88839676

IUPAC2-decylsulfanylacetate;tributylstannanylium
SMILESCCCCCCCCCCSCC(=O)[O-].CCCC[Sn+](CCCC)CCCC
InChIInChI=1S/C12H24O2S.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-15-11-12(13)14;3*1-3-4-2;/h2-11H2,1H3,(H,13,14);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyQWKWDHFEVZPCNT-UHFFFAOYSA-M
MW521.44 g/mol
LogP7.49
Rot. Bonds20

About 2-decylsulfanylacetate;tributylstannanylium

2-decylsulfanylacetate;tributylstannanylium (PubChem CID 88839676) has the molecular formula C24H50O2SSn and a molecular weight of 521.44 g/mol. Its IUPAC name is 2-decylsulfanylacetate;tributylstannanylium.

Molecular Properties

Compound Name2-decylsulfanylacetate;tributylstannanylium
PubChem CID88839676
Molecular FormulaC24H50O2SSn
Molecular Weight521.44 g/mol
Exact Mass522.26
IUPAC Name2-decylsulfanylacetate;tributylstannanylium
SMILESCCCCCCCCCCSCC(=O)[O-].CCCC[Sn+](CCCC)CCCC
InChIInChI=1S/C12H24O2S.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-15-11-12(13)14;3*1-3-4-2;/h2-11H2,1H3,(H,13,14);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyQWKWDHFEVZPCNT-UHFFFAOYSA-M
XLogP7.49
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.44
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tetrakis(2-decylsulfanylacetate);tin(4+)
CID 162242326
zinc bis(2-octadecylsulfanylacetate)
CID 87182065
octadecanoate;trioctylstannanylium
CID 23208965
2-sulfanylacetate;tributylstannanylium
CID 161006550
zinc bis(3-octadecylsulfanylpropanoate)
CID 18417194
calcium 3-dodecylsulfanylpropanoate
CID 21119810
tetrakis(2-(hexylsulfanylmethyl)prop-2-enoate);methane
CID 19613977
2-(6-octylsulfanylhexylsulfanyl)acetic acid
CID 102095686
dibutyltin(2+);bis(2-(6-methylheptylsulfanyl)acetate)
CID 22062378
dibutyl(docosyl)stannanylium
CID 175600993
methyl 2-hexylsulfanylacetate
CID 12820437
dibutyl(octyl)stannanylium chloride
CID 88642054

Frequently Asked Questions

What is the IUPAC name of 2-decylsulfanylacetate;tributylstannanylium?
The IUPAC name of 2-decylsulfanylacetate;tributylstannanylium (CID 88839676) is 2-decylsulfanylacetate;tributylstannanylium.
What is the SMILES notation for 2-decylsulfanylacetate;tributylstannanylium?
The canonical SMILES for 2-decylsulfanylacetate;tributylstannanylium is CCCCCCCCCCSCC(=O)[O-].CCCC[Sn+](CCCC)CCCC.
What is the InChIKey of 2-decylsulfanylacetate;tributylstannanylium?
The InChIKey is QWKWDHFEVZPCNT-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H24O2S.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-15-11-12(13)14;3*1-3-4-2;/h2-11H2,1H3,(H,13,14);3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of 2-decylsulfanylacetate;tributylstannanylium?
2-decylsulfanylacetate;tributylstannanylium has a molecular weight of 521.44 g/mol, XLogP of 7.49, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decylsulfanylacetate;tributylstannanylium is sourced from PubChem (CID 88839676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).