2-sulfanylacetate;tributylstannanylium

C14H30O2SSn — CID 161006550

IUPAC2-sulfanylacetate;tributylstannanylium
SMILESCCCC[Sn+](CCCC)CCCC.O=C([O-])CS
InChIInChI=1S/3C4H9.C2H4O2S.Sn/c3*1-3-4-2;3-2(4)1-5;/h3*1,3-4H2,2H3;5H,1H2,(H,3,4);/q;;;;+1/p-1
InChIKeyTWOQBRRSNSXUBV-UHFFFAOYSA-M
MW381.17 g/mol
LogP3.55
Rot. Bonds10

About 2-sulfanylacetate;tributylstannanylium

2-sulfanylacetate;tributylstannanylium (PubChem CID 161006550) has the molecular formula C14H30O2SSn and a molecular weight of 381.17 g/mol. Its IUPAC name is 2-sulfanylacetate;tributylstannanylium.

Molecular Properties

Compound Name2-sulfanylacetate;tributylstannanylium
PubChem CID161006550
Molecular FormulaC14H30O2SSn
Molecular Weight381.17 g/mol
Exact Mass382.10
IUPAC Name2-sulfanylacetate;tributylstannanylium
SMILESCCCC[Sn+](CCCC)CCCC.O=C([O-])CS
InChIInChI=1S/3C4H9.C2H4O2S.Sn/c3*1-3-4-2;3-2(4)1-5;/h3*1,3-4H2,2H3;5H,1H2,(H,3,4);/q;;;;+1/p-1
InChIKeyTWOQBRRSNSXUBV-UHFFFAOYSA-M
XLogP3.55
TPSA40.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.17
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

octadecanoate;trioctylstannanylium
CID 23208965
azane;tributylstannanylium
CID 172708853
copper(1+);bis(tributylstannanylium)
CID 19840058
sulfanide;tributylstannanylium
CID 13070078
tributylstannanylium formate
CID 22167734
bis(2-methylprop-2-enoate);prop-2-enoate;tris(tributylstannanylium)
CID 173422883
azanium 2-sulfanylacetate
CID 21534
disodium;3,4-diethylhexane-3,4-diol;bis(2-sulfanylacetate)
CID 174650042
decane-1-thiol acetate
CID 22212628
tributylstannanylium sulfamate
CID 175434161
dibutyl(docosyl)stannanylium
CID 175600993
zinc;hexane;diacetate
CID 174575867

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylacetate;tributylstannanylium?
The IUPAC name of 2-sulfanylacetate;tributylstannanylium (CID 161006550) is 2-sulfanylacetate;tributylstannanylium.
What is the SMILES notation for 2-sulfanylacetate;tributylstannanylium?
The canonical SMILES for 2-sulfanylacetate;tributylstannanylium is CCCC[Sn+](CCCC)CCCC.O=C([O-])CS.
What is the InChIKey of 2-sulfanylacetate;tributylstannanylium?
The InChIKey is TWOQBRRSNSXUBV-UHFFFAOYSA-M. The full InChI is InChI=1S/3C4H9.C2H4O2S.Sn/c3*1-3-4-2;3-2(4)1-5;/h3*1,3-4H2,2H3;5H,1H2,(H,3,4);/q;;;;+1/p-1.
What are the key properties of 2-sulfanylacetate;tributylstannanylium?
2-sulfanylacetate;tributylstannanylium has a molecular weight of 381.17 g/mol, XLogP of 3.55, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylacetate;tributylstannanylium is sourced from PubChem (CID 161006550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).