benzyl 2-sulfanylacetate;trimethylstannane

C12H20O2SSn — CID 173446613

IUPACbenzyl 2-sulfanylacetate;trimethylstannane
SMILESC[SnH](C)C.O=C(CS)OCc1ccccc1
InChIInChI=1S/C9H10O2S.3CH3.Sn.H/c10-9(7-12)11-6-8-4-2-1-3-5-8;;;;;/h1-5,12H,6-7H2;3*1H3;;
InChIKeyQSGZDPDXILAERC-UHFFFAOYSA-N
MW347.07 g/mol
LogP2.76
Rot. Bonds3

About benzyl 2-sulfanylacetate;trimethylstannane

benzyl 2-sulfanylacetate;trimethylstannane (PubChem CID 173446613) has the molecular formula C12H20O2SSn and a molecular weight of 347.07 g/mol. Its IUPAC name is benzyl 2-sulfanylacetate;trimethylstannane.

Molecular Properties

Compound Namebenzyl 2-sulfanylacetate;trimethylstannane
PubChem CID173446613
Molecular FormulaC12H20O2SSn
Molecular Weight347.07 g/mol
Exact Mass348.02
IUPAC Namebenzyl 2-sulfanylacetate;trimethylstannane
SMILESC[SnH](C)C.O=C(CS)OCc1ccccc1
InChIInChI=1S/C9H10O2S.3CH3.Sn.H/c10-9(7-12)11-6-8-4-2-1-3-5-8;;;;;/h1-5,12H,6-7H2;3*1H3;;
InChIKeyQSGZDPDXILAERC-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.07
LogP ≤ 52.76
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

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CID 88730426
CID 173397882
CID 173397882
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CID 140986165
benzyl 2-aminoacetate
CID 122130027
(3-methoxyphenyl)methyl 2-sulfanylacetate
CID 107018257
benzyl 2-aminoacetate;hydrochloride
CID 11701227
(2-oxo-2-phenylmethoxyethyl)azanium
CID 3684791
benzyl 2-chloroacetate
CID 8786
benzyl 3,4-dimethylhexanoate
CID 123356915
benzyl 2-methylsulfanylacetate
CID 89146896
benzyl 3-hydroxybutanoate
CID 562226
benzyl acetate
CID 8785

Frequently Asked Questions

What is the IUPAC name of benzyl 2-sulfanylacetate;trimethylstannane?
The IUPAC name of benzyl 2-sulfanylacetate;trimethylstannane (CID 173446613) is benzyl 2-sulfanylacetate;trimethylstannane.
What is the SMILES notation for benzyl 2-sulfanylacetate;trimethylstannane?
The canonical SMILES for benzyl 2-sulfanylacetate;trimethylstannane is C[SnH](C)C.O=C(CS)OCc1ccccc1.
What is the InChIKey of benzyl 2-sulfanylacetate;trimethylstannane?
The InChIKey is QSGZDPDXILAERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S.3CH3.Sn.H/c10-9(7-12)11-6-8-4-2-1-3-5-8;;;;;/h1-5,12H,6-7H2;3*1H3;;.
What are the key properties of benzyl 2-sulfanylacetate;trimethylstannane?
benzyl 2-sulfanylacetate;trimethylstannane has a molecular weight of 347.07 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-sulfanylacetate;trimethylstannane is sourced from PubChem (CID 173446613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).