(5-methylpyrazin-2-yl)methanethiol

C6H8N2S — CID 90983468

IUPAC(5-methylpyrazin-2-yl)methanethiol
SMILESCc1cnc(CS)cn1
InChIInChI=1S/C6H8N2S/c1-5-2-8-6(4-9)3-7-5/h2-3,9H,4H2,1H3
InChIKeyHXPODPVGKYVGAG-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.21
Rot. Bonds1

About (5-methylpyrazin-2-yl)methanethiol

(5-methylpyrazin-2-yl)methanethiol (PubChem CID 90983468) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)methanethiol.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)methanethiol
PubChem CID90983468
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name(5-methylpyrazin-2-yl)methanethiol
SMILESCc1cnc(CS)cn1
InChIInChI=1S/C6H8N2S/c1-5-2-8-6(4-9)3-7-5/h2-3,9H,4H2,1H3
InChIKeyHXPODPVGKYVGAG-UHFFFAOYSA-N
XLogP1.21
TPSA25.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (5-methylpyrazin-2-yl)methanethiol 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)methanethiol?
The IUPAC name of (5-methylpyrazin-2-yl)methanethiol (CID 90983468) is (5-methylpyrazin-2-yl)methanethiol.
What is the SMILES notation for (5-methylpyrazin-2-yl)methanethiol?
The canonical SMILES for (5-methylpyrazin-2-yl)methanethiol is Cc1cnc(CS)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)methanethiol?
The InChIKey is HXPODPVGKYVGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-5-2-8-6(4-9)3-7-5/h2-3,9H,4H2,1H3.
What are the key properties of (5-methylpyrazin-2-yl)methanethiol?
(5-methylpyrazin-2-yl)methanethiol has a molecular weight of 140.21 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)methanethiol is sourced from PubChem (CID 90983468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).