λ2-stannane;4-methylbenzenesulfonic acid

C7H10O3SSn — CID 173313269

IUPACλ2-stannane;4-methylbenzenesulfonic acid
SMILESCc1ccc(S(=O)(=O)O)cc1.[SnH2]
InChIInChI=1S/C7H8O3S.Sn.2H/c1-6-2-4-7(5-3-6)11(8,9)10;;;/h2-5H,1H3,(H,8,9,10);;;
InChIKeyPGPSFABJOODBKD-UHFFFAOYSA-N
MW292.93 g/mol
LogP0.33
Rot. Bonds1

About λ2-stannane;4-methylbenzenesulfonic acid

λ2-stannane;4-methylbenzenesulfonic acid (PubChem CID 173313269) has the molecular formula C7H10O3SSn and a molecular weight of 292.93 g/mol. Its IUPAC name is λ2-stannane;4-methylbenzenesulfonic acid.

Molecular Properties

Compound Nameλ2-stannane;4-methylbenzenesulfonic acid
PubChem CID173313269
Molecular FormulaC7H10O3SSn
Molecular Weight292.93 g/mol
Exact Mass293.94
IUPAC Nameλ2-stannane;4-methylbenzenesulfonic acid
SMILESCc1ccc(S(=O)(=O)O)cc1.[SnH2]
InChIInChI=1S/C7H8O3S.Sn.2H/c1-6-2-4-7(5-3-6)11(8,9)10;;;/h2-5H,1H3,(H,8,9,10);;;
InChIKeyPGPSFABJOODBKD-UHFFFAOYSA-N
XLogP0.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.93
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-methylbenzenesulfonic acid
CID 157221593
4-methylbenzenesulfonic acid;hydrobromide
CID 87724042
CID 6371597
CID 6371597
methanol;4-methylbenzenesulfonic acid;nickel
CID 162157785
azane;4-methylbenzenesulfonic acid;hydrate
CID 87973171
benzene;4-methylbenzenesulfonic acid
CID 22637252
ethene;bis(4-methylbenzenesulfonic acid)
CID 175141625
(125I)iodomethane;4-methylbenzenesulfonic acid
CID 158752448
bis(cyclopentane);bis(4-methylbenzenesulfonic acid);titanium(2+)
CID 23230882
dichloromethane;4-methylbenzenesulfonic acid
CID 158574203
4-methylbenzenesulfonic acid;O-methylhydroxylamine
CID 175159751
sodium;4-methylbenzenesulfonic acid;azide
CID 172780607

Frequently Asked Questions

What is the IUPAC name of λ2-stannane;4-methylbenzenesulfonic acid?
The IUPAC name of λ2-stannane;4-methylbenzenesulfonic acid (CID 173313269) is λ2-stannane;4-methylbenzenesulfonic acid.
What is the SMILES notation for λ2-stannane;4-methylbenzenesulfonic acid?
The canonical SMILES for λ2-stannane;4-methylbenzenesulfonic acid is Cc1ccc(S(=O)(=O)O)cc1.[SnH2].
What is the InChIKey of λ2-stannane;4-methylbenzenesulfonic acid?
The InChIKey is PGPSFABJOODBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S.Sn.2H/c1-6-2-4-7(5-3-6)11(8,9)10;;;/h2-5H,1H3,(H,8,9,10);;;.
What are the key properties of λ2-stannane;4-methylbenzenesulfonic acid?
λ2-stannane;4-methylbenzenesulfonic acid has a molecular weight of 292.93 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for λ2-stannane;4-methylbenzenesulfonic acid is sourced from PubChem (CID 173313269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).