methanesulfonic acid;nitric acid;sulfuric acid;hydrobromide;hydrochloride

CH9BrClNO10S2 — CID 159704639

IUPACmethanesulfonic acid;nitric acid;sulfuric acid;hydrobromide;hydrochloride
SMILESBr.CS(=O)(=O)O.Cl.O=S(=O)(O)O.O=[N+]([O-])O
InChIInChI=1S/CH4O3S.BrH.ClH.HNO3.H2O4S/c1-5(2,3)4;;;2-1(3)4;1-5(2,3)4/h1H3,(H,2,3,4);2*1H;(H,2,3,4);(H2,1,2,3,4)
InChIKeyMYBARAXPCQGUIX-UHFFFAOYSA-N
MW374.57 g/mol
LogP-0.50
Rot. Bonds

About methanesulfonic acid;nitric acid;sulfuric acid;hydrobromide;hydrochloride

methanesulfonic acid;nitric acid;sulfuric acid;hydrobromide;hydrochloride (PubChem CID 159704639) has the molecular formula CH9BrClNO10S2 and a molecular weight of 374.57 g/mol. Its IUPAC name is methanesulfonic acid;nitric acid;sulfuric acid;hydrobromide;hydrochloride.

Molecular Properties

Compound Namemethanesulfonic acid;nitric acid;sulfuric acid;hydrobromide;hydrochloride
PubChem CID159704639
Molecular FormulaCH9BrClNO10S2
Molecular Weight374.57 g/mol
Exact Mass372.85
IUPAC Namemethanesulfonic acid;nitric acid;sulfuric acid;hydrobromide;hydrochloride
SMILESBr.CS(=O)(=O)O.Cl.O=S(=O)(O)O.O=[N+]([O-])O
InChIInChI=1S/CH4O3S.BrH.ClH.HNO3.H2O4S/c1-5(2,3)4;;;2-1(3)4;1-5(2,3)4/h1H3,(H,2,3,4);2*1H;(H,2,3,4);(H2,1,2,3,4)
InChIKeyMYBARAXPCQGUIX-UHFFFAOYSA-N
XLogP-0.50
TPSA192.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;nitric acid;sulfuric acid;hydrobromide;hydrochloride?
The IUPAC name of methanesulfonic acid;nitric acid;sulfuric acid;hydrobromide;hydrochloride (CID 159704639) is methanesulfonic acid;nitric acid;sulfuric acid;hydrobromide;hydrochloride.
What is the SMILES notation for methanesulfonic acid;nitric acid;sulfuric acid;hydrobromide;hydrochloride?
The canonical SMILES for methanesulfonic acid;nitric acid;sulfuric acid;hydrobromide;hydrochloride is Br.CS(=O)(=O)O.Cl.O=S(=O)(O)O.O=[N+]([O-])O.
What is the InChIKey of methanesulfonic acid;nitric acid;sulfuric acid;hydrobromide;hydrochloride?
The InChIKey is MYBARAXPCQGUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O3S.BrH.ClH.HNO3.H2O4S/c1-5(2,3)4;;;2-1(3)4;1-5(2,3)4/h1H3,(H,2,3,4);2*1H;(H,2,3,4);(H2,1,2,3,4).
What are the key properties of methanesulfonic acid;nitric acid;sulfuric acid;hydrobromide;hydrochloride?
methanesulfonic acid;nitric acid;sulfuric acid;hydrobromide;hydrochloride has a molecular weight of 374.57 g/mol, XLogP of -0.50, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;nitric acid;sulfuric acid;hydrobromide;hydrochloride is sourced from PubChem (CID 159704639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).