hydrogen sulfate;trimethylsulfanium

C3H10O4S2 — CID 10942955

IUPAChydrogen sulfate;trimethylsulfanium
SMILESC[S+](C)C.O=S(=O)([O-])O
InChIInChI=1S/C3H9S.H2O4S/c1-4(2)3;1-5(2,3)4/h1-3H3;(H2,1,2,3,4)/q+1;/p-1
InChIKeyALALNHBRSNEZAC-UHFFFAOYSA-M
MW174.24 g/mol
LogP-0.50
Rot. Bonds

About hydrogen sulfate;trimethylsulfanium

hydrogen sulfate;trimethylsulfanium (PubChem CID 10942955) has the molecular formula C3H10O4S2 and a molecular weight of 174.24 g/mol. Its IUPAC name is hydrogen sulfate;trimethylsulfanium.

Molecular Properties

Compound Namehydrogen sulfate;trimethylsulfanium
PubChem CID10942955
Molecular FormulaC3H10O4S2
Molecular Weight174.24 g/mol
Exact Mass174.00
IUPAC Namehydrogen sulfate;trimethylsulfanium
SMILESC[S+](C)C.O=S(=O)([O-])O
InChIInChI=1S/C3H9S.H2O4S/c1-4(2)3;1-5(2,3)4/h1-3H3;(H2,1,2,3,4)/q+1;/p-1
InChIKeyALALNHBRSNEZAC-UHFFFAOYSA-M
XLogP-0.50
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'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 20581843
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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;trimethylsulfanium?
The IUPAC name of hydrogen sulfate;trimethylsulfanium (CID 10942955) is hydrogen sulfate;trimethylsulfanium.
What is the SMILES notation for hydrogen sulfate;trimethylsulfanium?
The canonical SMILES for hydrogen sulfate;trimethylsulfanium is C[S+](C)C.O=S(=O)([O-])O.
What is the InChIKey of hydrogen sulfate;trimethylsulfanium?
The InChIKey is ALALNHBRSNEZAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9S.H2O4S/c1-4(2)3;1-5(2,3)4/h1-3H3;(H2,1,2,3,4)/q+1;/p-1.
What are the key properties of hydrogen sulfate;trimethylsulfanium?
hydrogen sulfate;trimethylsulfanium has a molecular weight of 174.24 g/mol, XLogP of -0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;trimethylsulfanium is sourced from PubChem (CID 10942955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).