2-methyl-1,3-thiazole-5-sulfinic acid

C4H5NO2S2 — CID 67765383

IUPAC2-methyl-1,3-thiazole-5-sulfinic acid
SMILESCc1ncc(S(=O)O)s1
InChIInChI=1S/C4H5NO2S2/c1-3-5-2-4(8-3)9(6)7/h2H,1H3,(H,6,7)
InChIKeyKLQNXQZKKPJLKR-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.03
Rot. Bonds1

About 2-methyl-1,3-thiazole-5-sulfinic acid

2-methyl-1,3-thiazole-5-sulfinic acid (PubChem CID 67765383) has the molecular formula C4H5NO2S2 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-methyl-1,3-thiazole-5-sulfinic acid.

Molecular Properties

Compound Name2-methyl-1,3-thiazole-5-sulfinic acid
PubChem CID67765383
Molecular FormulaC4H5NO2S2
Molecular Weight163.22 g/mol
Exact Mass162.98
IUPAC Name2-methyl-1,3-thiazole-5-sulfinic acid
SMILESCc1ncc(S(=O)O)s1
InChIInChI=1S/C4H5NO2S2/c1-3-5-2-4(8-3)9(6)7/h2H,1H3,(H,6,7)
InChIKeyKLQNXQZKKPJLKR-UHFFFAOYSA-N
XLogP1.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-thiazole-5-sulfinic acid?
The IUPAC name of 2-methyl-1,3-thiazole-5-sulfinic acid (CID 67765383) is 2-methyl-1,3-thiazole-5-sulfinic acid.
What is the SMILES notation for 2-methyl-1,3-thiazole-5-sulfinic acid?
The canonical SMILES for 2-methyl-1,3-thiazole-5-sulfinic acid is Cc1ncc(S(=O)O)s1.
What is the InChIKey of 2-methyl-1,3-thiazole-5-sulfinic acid?
The InChIKey is KLQNXQZKKPJLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S2/c1-3-5-2-4(8-3)9(6)7/h2H,1H3,(H,6,7).
What are the key properties of 2-methyl-1,3-thiazole-5-sulfinic acid?
2-methyl-1,3-thiazole-5-sulfinic acid has a molecular weight of 163.22 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-thiazole-5-sulfinic acid is sourced from PubChem (CID 67765383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).