(6-methylpyrazin-2-yl)methanesulfinate

C6H7N2O2S- — CID 57210545

IUPAC(6-methylpyrazin-2-yl)methanesulfinate
SMILESCc1cncc(CS(=O)[O-])n1
InChIInChI=1S/C6H8N2O2S/c1-5-2-7-3-6(8-5)4-11(9)10/h2-3H,4H2,1H3,(H,9,10)/p-1
InChIKeyLNWBNZJBYOIGJX-UHFFFAOYSA-M
MW171.20 g/mol
LogP0.16
Rot. Bonds2

About (6-methylpyrazin-2-yl)methanesulfinate

(6-methylpyrazin-2-yl)methanesulfinate (PubChem CID 57210545) has the molecular formula C6H7N2O2S- and a molecular weight of 171.20 g/mol. Its IUPAC name is (6-methylpyrazin-2-yl)methanesulfinate.

Molecular Properties

Compound Name(6-methylpyrazin-2-yl)methanesulfinate
PubChem CID57210545
Molecular FormulaC6H7N2O2S-
Molecular Weight171.20 g/mol
Exact Mass171.02
IUPAC Name(6-methylpyrazin-2-yl)methanesulfinate
SMILESCc1cncc(CS(=O)[O-])n1
InChIInChI=1S/C6H8N2O2S/c1-5-2-7-3-6(8-5)4-11(9)10/h2-3H,4H2,1H3,(H,9,10)/p-1
InChIKeyLNWBNZJBYOIGJX-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'}

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Frequently Asked Questions

What is the IUPAC name of (6-methylpyrazin-2-yl)methanesulfinate?
The IUPAC name of (6-methylpyrazin-2-yl)methanesulfinate (CID 57210545) is (6-methylpyrazin-2-yl)methanesulfinate.
What is the SMILES notation for (6-methylpyrazin-2-yl)methanesulfinate?
The canonical SMILES for (6-methylpyrazin-2-yl)methanesulfinate is Cc1cncc(CS(=O)[O-])n1.
What is the InChIKey of (6-methylpyrazin-2-yl)methanesulfinate?
The InChIKey is LNWBNZJBYOIGJX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N2O2S/c1-5-2-7-3-6(8-5)4-11(9)10/h2-3H,4H2,1H3,(H,9,10)/p-1.
What are the key properties of (6-methylpyrazin-2-yl)methanesulfinate?
(6-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 (6-methylpyrazin-2-yl)methanesulfinate is sourced from PubChem (CID 57210545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).