sulfuric acid;1,4-xylene

C8H12O4S — CID 18423372

IUPACsulfuric acid;1,4-xylene
SMILESCc1ccc(C)cc1.O=S(=O)(O)O
InChIInChI=1S/C8H10.H2O4S/c1-7-3-5-8(2)6-4-7;1-5(2,3)4/h3-6H,1-2H3;(H2,1,2,3,4)
InChIKeyLCKKYDCXZYHUCH-UHFFFAOYSA-N
MW204.25 g/mol
LogP1.65
Rot. Bonds

About sulfuric acid;1,4-xylene

sulfuric acid;1,4-xylene (PubChem CID 18423372) has the molecular formula C8H12O4S and a molecular weight of 204.25 g/mol. Its IUPAC name is sulfuric acid;1,4-xylene.

Molecular Properties

Compound Namesulfuric acid;1,4-xylene
PubChem CID18423372
Molecular FormulaC8H12O4S
Molecular Weight204.25 g/mol
Exact Mass204.05
IUPAC Namesulfuric acid;1,4-xylene
SMILESCc1ccc(C)cc1.O=S(=O)(O)O
InChIInChI=1S/C8H10.H2O4S/c1-7-3-5-8(2)6-4-7;1-5(2,3)4/h3-6H,1-2H3;(H2,1,2,3,4)
InChIKeyLCKKYDCXZYHUCH-UHFFFAOYSA-N
XLogP1.65
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 51.65
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

4-methylbenzenesulfonic acid
CID 157221593
4-methylbenzenesulfonic acid;hydrobromide
CID 87724042
λ2-stannane;4-methylbenzenesulfonic acid
CID 173313269
4-methylpyridine;sulfuric acid
CID 71383556
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
methanesulfonic acid;4-methylaniline
CID 175567140
lithium;hydride;1,4-xylene
CID 173349078

Frequently Asked Questions

What is the IUPAC name of sulfuric acid;1,4-xylene?
The IUPAC name of sulfuric acid;1,4-xylene (CID 18423372) is sulfuric acid;1,4-xylene.
What is the SMILES notation for sulfuric acid;1,4-xylene?
The canonical SMILES for sulfuric acid;1,4-xylene is Cc1ccc(C)cc1.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;1,4-xylene?
The InChIKey is LCKKYDCXZYHUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.H2O4S/c1-7-3-5-8(2)6-4-7;1-5(2,3)4/h3-6H,1-2H3;(H2,1,2,3,4).
What are the key properties of sulfuric acid;1,4-xylene?
sulfuric acid;1,4-xylene has a molecular weight of 204.25 g/mol, XLogP of 1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;1,4-xylene is sourced from PubChem (CID 18423372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).