sulfuric acid;1,3-xylene

C8H12O4S — CID 70361760

IUPACsulfuric acid;1,3-xylene
SMILESCc1cccc(C)c1.O=S(=O)(O)O
InChIInChI=1S/C8H10.H2O4S/c1-7-4-3-5-8(2)6-7;1-5(2,3)4/h3-6H,1-2H3;(H2,1,2,3,4)
InChIKeyJOQLQKGHWQXYFR-UHFFFAOYSA-N
MW204.25 g/mol
LogP1.65
Rot. Bonds

About sulfuric acid;1,3-xylene

sulfuric acid;1,3-xylene (PubChem CID 70361760) has the molecular formula C8H12O4S and a molecular weight of 204.25 g/mol. Its IUPAC name is sulfuric acid;1,3-xylene.

Molecular Properties

Compound Namesulfuric acid;1,3-xylene
PubChem CID70361760
Molecular FormulaC8H12O4S
Molecular Weight204.25 g/mol
Exact Mass204.05
IUPAC Namesulfuric acid;1,3-xylene
SMILESCc1cccc(C)c1.O=S(=O)(O)O
InChIInChI=1S/C8H10.H2O4S/c1-7-4-3-5-8(2)6-7;1-5(2,3)4/h3-6H,1-2H3;(H2,1,2,3,4)
InChIKeyJOQLQKGHWQXYFR-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

bis(3-methylaniline);sulfuric acid;dihydrate
CID 172789732
3-methylphenol;sulfuric acid
CID 70180616
ethane;methanol;1,3-xylene
CID 156743127
phosphane;tris(1,3-xylene)
CID 67351774
argon;1,3-xylene
CID 161468194
uranium;1,3-xylene
CID 142096795
ethane;1,3-xylene
CID 54570178
carbon dioxide;1,3-xylene
CID 160806691
dioxoosmium;1,3-xylene
CID 57347095
N-ethyl-3-methylaniline;sulfuric acid
CID 161001051
bis(2-(3-methylphenyl)guanidine);sulfuric acid
CID 131842572
formic acid;1,3-xylene;hydrochloride
CID 143757587

Frequently Asked Questions

What is the IUPAC name of sulfuric acid;1,3-xylene?
The IUPAC name of sulfuric acid;1,3-xylene (CID 70361760) is sulfuric acid;1,3-xylene.
What is the SMILES notation for sulfuric acid;1,3-xylene?
The canonical SMILES for sulfuric acid;1,3-xylene is Cc1cccc(C)c1.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;1,3-xylene?
The InChIKey is JOQLQKGHWQXYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.H2O4S/c1-7-4-3-5-8(2)6-7;1-5(2,3)4/h3-6H,1-2H3;(H2,1,2,3,4).
What are the key properties of sulfuric acid;1,3-xylene?
sulfuric acid;1,3-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;1,3-xylene is sourced from PubChem (CID 70361760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).