sulfuric acid;bis(1,2-xylene)

C16H22O4S — CID 174805286

IUPACsulfuric acid;bis(1,2-xylene)
SMILESCc1ccccc1C.Cc1ccccc1C.O=S(=O)(O)O
InChIInChI=1S/2C8H10.H2O4S/c2*1-7-5-3-4-6-8(7)2;1-5(2,3)4/h2*3-6H,1-2H3;(H2,1,2,3,4)
InChIKeyIZCXSBMMKPNVJM-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.95
Rot. Bonds

About sulfuric acid;bis(1,2-xylene)

sulfuric acid;bis(1,2-xylene) (PubChem CID 174805286) has the molecular formula C16H22O4S and a molecular weight of 310.42 g/mol. Its IUPAC name is sulfuric acid;bis(1,2-xylene).

Molecular Properties

Compound Namesulfuric acid;bis(1,2-xylene)
PubChem CID174805286
Molecular FormulaC16H22O4S
Molecular Weight310.42 g/mol
Exact Mass310.12
IUPAC Namesulfuric acid;bis(1,2-xylene)
SMILESCc1ccccc1C.Cc1ccccc1C.O=S(=O)(O)O
InChIInChI=1S/2C8H10.H2O4S/c2*1-7-5-3-4-6-8(7)2;1-5(2,3)4/h2*3-6H,1-2H3;(H2,1,2,3,4)
InChIKeyIZCXSBMMKPNVJM-UHFFFAOYSA-N
XLogP3.95
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-xylene
CID 173422016
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CID 6925
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2,3-dimethylphenol;sulfuric acid
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2-methylbenzenesulfonic acid;nickel
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CID 173271723
1,2-xylene;trihydrochloride
CID 70594732
1,2-xylene;tetrahydrobromide
CID 172843014
benzene;1,2-xylene
CID 161464493
vanadium;1,2-xylene
CID 143581691
1,2-xylene;zirconium
CID 174354618

Frequently Asked Questions

What is the IUPAC name of sulfuric acid;bis(1,2-xylene)?
The IUPAC name of sulfuric acid;bis(1,2-xylene) (CID 174805286) is sulfuric acid;bis(1,2-xylene).
What is the SMILES notation for sulfuric acid;bis(1,2-xylene)?
The canonical SMILES for sulfuric acid;bis(1,2-xylene) is Cc1ccccc1C.Cc1ccccc1C.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;bis(1,2-xylene)?
The InChIKey is IZCXSBMMKPNVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10.H2O4S/c2*1-7-5-3-4-6-8(7)2;1-5(2,3)4/h2*3-6H,1-2H3;(H2,1,2,3,4).
What are the key properties of sulfuric acid;bis(1,2-xylene)?
sulfuric acid;bis(1,2-xylene) has a molecular weight of 310.42 g/mol, XLogP of 3.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;bis(1,2-xylene) is sourced from PubChem (CID 174805286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).