hydroxy-(4-methylthiadiazol-5-yl)methanesulfonic acid

C4H6N2O4S2 — CID 130965336

IUPAChydroxy-(4-methylthiadiazol-5-yl)methanesulfonic acid
SMILESCc1nnsc1C(O)S(=O)(=O)O
InChIInChI=1S/C4H6N2O4S2/c1-2-3(11-6-5-2)4(7)12(8,9)10/h4,7H,1H3,(H,8,9,10)
InChIKeyCBOVHLQEOSPAOO-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.27
Rot. Bonds2

About hydroxy-(4-methylthiadiazol-5-yl)methanesulfonic acid

hydroxy-(4-methylthiadiazol-5-yl)methanesulfonic acid (PubChem CID 130965336) has the molecular formula C4H6N2O4S2 and a molecular weight of 210.24 g/mol. Its IUPAC name is hydroxy-(4-methylthiadiazol-5-yl)methanesulfonic acid.

Molecular Properties

Compound Namehydroxy-(4-methylthiadiazol-5-yl)methanesulfonic acid
PubChem CID130965336
Molecular FormulaC4H6N2O4S2
Molecular Weight210.24 g/mol
Exact Mass209.98
IUPAC Namehydroxy-(4-methylthiadiazol-5-yl)methanesulfonic acid
SMILESCc1nnsc1C(O)S(=O)(=O)O
InChIInChI=1S/C4H6N2O4S2/c1-2-3(11-6-5-2)4(7)12(8,9)10/h4,7H,1H3,(H,8,9,10)
InChIKeyCBOVHLQEOSPAOO-UHFFFAOYSA-N
XLogP-0.27
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-(4-methylthiadiazol-5-yl)methanesulfonic acid?
The IUPAC name of hydroxy-(4-methylthiadiazol-5-yl)methanesulfonic acid (CID 130965336) is hydroxy-(4-methylthiadiazol-5-yl)methanesulfonic acid.
What is the SMILES notation for hydroxy-(4-methylthiadiazol-5-yl)methanesulfonic acid?
The canonical SMILES for hydroxy-(4-methylthiadiazol-5-yl)methanesulfonic acid is Cc1nnsc1C(O)S(=O)(=O)O.
What is the InChIKey of hydroxy-(4-methylthiadiazol-5-yl)methanesulfonic acid?
The InChIKey is CBOVHLQEOSPAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O4S2/c1-2-3(11-6-5-2)4(7)12(8,9)10/h4,7H,1H3,(H,8,9,10).
What are the key properties of hydroxy-(4-methylthiadiazol-5-yl)methanesulfonic acid?
hydroxy-(4-methylthiadiazol-5-yl)methanesulfonic acid has a molecular weight of 210.24 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(4-methylthiadiazol-5-yl)methanesulfonic acid is sourced from PubChem (CID 130965336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).