hydrogen sulfate;trimethylstannanylium

C3H10O4SSn — CID 18317158

IUPAChydrogen sulfate;trimethylstannanylium
SMILESC[Sn+](C)C.O=S(=O)([O-])O
InChIInChI=1S/3CH3.H2O4S.Sn/c;;;1-5(2,3)4;/h3*1H3;(H2,1,2,3,4);/q;;;;+1/p-1
InChIKeyNUMBJEPDYGRUNB-UHFFFAOYSA-M
MW260.89 g/mol
LogP0.38
Rot. Bonds

About hydrogen sulfate;trimethylstannanylium

hydrogen sulfate;trimethylstannanylium (PubChem CID 18317158) has the molecular formula C3H10O4SSn and a molecular weight of 260.89 g/mol. Its IUPAC name is hydrogen sulfate;trimethylstannanylium.

Molecular Properties

Compound Namehydrogen sulfate;trimethylstannanylium
PubChem CID18317158
Molecular FormulaC3H10O4SSn
Molecular Weight260.89 g/mol
Exact Mass261.93
IUPAC Namehydrogen sulfate;trimethylstannanylium
SMILESC[Sn+](C)C.O=S(=O)([O-])O
InChIInChI=1S/3CH3.H2O4S.Sn/c;;;1-5(2,3)4;/h3*1H3;(H2,1,2,3,4);/q;;;;+1/p-1
InChIKeyNUMBJEPDYGRUNB-UHFFFAOYSA-M
XLogP0.38
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.89
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 119095664
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CID 20581843
CID 20581843
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CID 159927283
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CID 171375501
sodium;azane;hydrogen sulfate;hydrochloride
CID 173374550
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CID 158787681
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CID 24996679
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Frequently Asked Questions

What is the IUPAC name of hydrogen sulfate;trimethylstannanylium?
The IUPAC name of hydrogen sulfate;trimethylstannanylium (CID 18317158) is hydrogen sulfate;trimethylstannanylium.
What is the SMILES notation for hydrogen sulfate;trimethylstannanylium?
The canonical SMILES for hydrogen sulfate;trimethylstannanylium is C[Sn+](C)C.O=S(=O)([O-])O.
What is the InChIKey of hydrogen sulfate;trimethylstannanylium?
The InChIKey is NUMBJEPDYGRUNB-UHFFFAOYSA-M. The full InChI is InChI=1S/3CH3.H2O4S.Sn/c;;;1-5(2,3)4;/h3*1H3;(H2,1,2,3,4);/q;;;;+1/p-1.
What are the key properties of hydrogen sulfate;trimethylstannanylium?
hydrogen sulfate;trimethylstannanylium has a molecular weight of 260.89 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;trimethylstannanylium is sourced from PubChem (CID 18317158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).