dimethylstannyl 2-sulfanylacetate

C4H10O2SSn — CID 173326806

IUPACdimethylstannyl 2-sulfanylacetate
SMILESC[SnH](C)OC(=O)CS
InChIInChI=1S/C2H4O2S.2CH3.Sn.H/c3-2(4)1-5;;;;/h5H,1H2,(H,3,4);2*1H3;;/q;;;+1;/p-1
InChIKeyLQVMCFWJBQCBHE-UHFFFAOYSA-M
MW240.90 g/mol
LogP0.44
Rot. Bonds2

About dimethylstannyl 2-sulfanylacetate

dimethylstannyl 2-sulfanylacetate (PubChem CID 173326806) has the molecular formula C4H10O2SSn and a molecular weight of 240.90 g/mol. Its IUPAC name is dimethylstannyl 2-sulfanylacetate.

Molecular Properties

Compound Namedimethylstannyl 2-sulfanylacetate
PubChem CID173326806
Molecular FormulaC4H10O2SSn
Molecular Weight240.90 g/mol
Exact Mass241.94
IUPAC Namedimethylstannyl 2-sulfanylacetate
SMILESC[SnH](C)OC(=O)CS
InChIInChI=1S/C2H4O2S.2CH3.Sn.H/c3-2(4)1-5;;;;/h5H,1H2,(H,3,4);2*1H3;;/q;;;+1;/p-1
InChIKeyLQVMCFWJBQCBHE-UHFFFAOYSA-M
XLogP0.44
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.90
LogP ≤ 50.44
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

sulfanyl 2-sulfanylacetate
CID 54111744
CID 88795318
CID 88795318
iodo 2-sulfanylacetate
CID 88672332
[(E)-prop-1-enyl] 2-sulfanylacetate
CID 87590908
[(Z)-prop-1-enyl] 2-sulfanylacetate
CID 173115431
benzyl 2-sulfanylacetate;trimethylstannane
CID 173446613
4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate
CID 25040
2-(2-sulfanylacetyl)oxyethanethioic S-acid
CID 87366290
methanethioyl 2-sulfanylacetate
CID 174854557
but-1-enyl 2-sulfanylacetate
CID 140996495
[dimethyl(silyloxy)silyl] 2-sulfanylacetate
CID 175831154
[1-sulfanyl-1-(2-sulfanylacetyl)oxypropan-2-yl] 2-sulfanylacetate
CID 141401982

Frequently Asked Questions

What is the IUPAC name of dimethylstannyl 2-sulfanylacetate?
The IUPAC name of dimethylstannyl 2-sulfanylacetate (CID 173326806) is dimethylstannyl 2-sulfanylacetate.
What is the SMILES notation for dimethylstannyl 2-sulfanylacetate?
The canonical SMILES for dimethylstannyl 2-sulfanylacetate is C[SnH](C)OC(=O)CS.
What is the InChIKey of dimethylstannyl 2-sulfanylacetate?
The InChIKey is LQVMCFWJBQCBHE-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O2S.2CH3.Sn.H/c3-2(4)1-5;;;;/h5H,1H2,(H,3,4);2*1H3;;/q;;;+1;/p-1.
What are the key properties of dimethylstannyl 2-sulfanylacetate?
dimethylstannyl 2-sulfanylacetate has a molecular weight of 240.90 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylstannyl 2-sulfanylacetate is sourced from PubChem (CID 173326806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).