methane;2-sulfidobenzoate;tin(2+)

C9H12O2SSn — CID 101376213

IUPACmethane;2-sulfidobenzoate;tin(2+)
SMILESC.C.O=C([O-])c1ccccc1[S-].[Sn+2]
InChIInChI=1S/C7H6O2S.2CH4.Sn/c8-7(9)5-3-1-2-4-6(5)10;;;/h1-4,10H,(H,8,9);2*1H4;/q;;;+2/p-2
InChIKeyJHDVURGHNVGFNL-UHFFFAOYSA-L
MW302.97 g/mol
LogP0.85
Rot. Bonds1

About methane;2-sulfidobenzoate;tin(2+)

methane;2-sulfidobenzoate;tin(2+) (PubChem CID 101376213) has the molecular formula C9H12O2SSn and a molecular weight of 302.97 g/mol. Its IUPAC name is methane;2-sulfidobenzoate;tin(2+).

Molecular Properties

Compound Namemethane;2-sulfidobenzoate;tin(2+)
PubChem CID101376213
Molecular FormulaC9H12O2SSn
Molecular Weight302.97 g/mol
Exact Mass303.96
IUPAC Namemethane;2-sulfidobenzoate;tin(2+)
SMILESC.C.O=C([O-])c1ccccc1[S-].[Sn+2]
InChIInChI=1S/C7H6O2S.2CH4.Sn/c8-7(9)5-3-1-2-4-6(5)10;;;/h1-4,10H,(H,8,9);2*1H4;/q;;;+2/p-2
InChIKeyJHDVURGHNVGFNL-UHFFFAOYSA-L
XLogP0.85
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.97
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;2-sulfidobenzoate;tin(2+)?
The IUPAC name of methane;2-sulfidobenzoate;tin(2+) (CID 101376213) is methane;2-sulfidobenzoate;tin(2+).
What is the SMILES notation for methane;2-sulfidobenzoate;tin(2+)?
The canonical SMILES for methane;2-sulfidobenzoate;tin(2+) is C.C.O=C([O-])c1ccccc1[S-].[Sn+2].
What is the InChIKey of methane;2-sulfidobenzoate;tin(2+)?
The InChIKey is JHDVURGHNVGFNL-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H6O2S.2CH4.Sn/c8-7(9)5-3-1-2-4-6(5)10;;;/h1-4,10H,(H,8,9);2*1H4;/q;;;+2/p-2.
What are the key properties of methane;2-sulfidobenzoate;tin(2+)?
methane;2-sulfidobenzoate;tin(2+) has a molecular weight of 302.97 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-sulfidobenzoate;tin(2+) is sourced from PubChem (CID 101376213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).