(5-methylpyrazin-2-yl)methanesulfinate

C6H7N2O2S- — CID 57048512

IUPAC(5-methylpyrazin-2-yl)methanesulfinate
SMILESCc1cnc(CS(=O)[O-])cn1
InChIInChI=1S/C6H8N2O2S/c1-5-2-8-6(3-7-5)4-11(9)10/h2-3H,4H2,1H3,(H,9,10)/p-1
InChIKeyBVQXDQWSZBUZOC-UHFFFAOYSA-M
MW171.20 g/mol
LogP0.16
Rot. Bonds2

About (5-methylpyrazin-2-yl)methanesulfinate

(5-methylpyrazin-2-yl)methanesulfinate (PubChem CID 57048512) has the molecular formula C6H7N2O2S- and a molecular weight of 171.20 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)methanesulfinate.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)methanesulfinate
PubChem CID57048512
Molecular FormulaC6H7N2O2S-
Molecular Weight171.20 g/mol
Exact Mass171.02
IUPAC Name(5-methylpyrazin-2-yl)methanesulfinate
SMILESCc1cnc(CS(=O)[O-])cn1
InChIInChI=1S/C6H8N2O2S/c1-5-2-8-6(3-7-5)4-11(9)10/h2-3H,4H2,1H3,(H,9,10)/p-1
InChIKeyBVQXDQWSZBUZOC-UHFFFAOYSA-M
XLogP0.16
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5-methylpyrazin-2-yl)methanesulfinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)methanesulfinate?
The IUPAC name of (5-methylpyrazin-2-yl)methanesulfinate (CID 57048512) is (5-methylpyrazin-2-yl)methanesulfinate.
What is the SMILES notation for (5-methylpyrazin-2-yl)methanesulfinate?
The canonical SMILES for (5-methylpyrazin-2-yl)methanesulfinate is Cc1cnc(CS(=O)[O-])cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)methanesulfinate?
The InChIKey is BVQXDQWSZBUZOC-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N2O2S/c1-5-2-8-6(3-7-5)4-11(9)10/h2-3H,4H2,1H3,(H,9,10)/p-1.
What are the key properties of (5-methylpyrazin-2-yl)methanesulfinate?
(5-methylpyrazin-2-yl)methanesulfinate has a molecular weight of 171.20 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)methanesulfinate is sourced from PubChem (CID 57048512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).