sodium 6-methyl-2-methylsulfanylpyrimidine-4-thiolate

C6H7N2NaS2 — CID 163331357

IUPACsodium 6-methyl-2-methylsulfanylpyrimidine-4-thiolate
SMILESCSc1nc(C)cc([S-])n1.[Na+]
InChIInChI=1S/C6H8N2S2.Na/c1-4-3-5(9)8-6(7-4)10-2;/h3H,1-2H3,(H,7,8,9);/q;+1/p-1
InChIKeyINFUCLHBHHGNJY-UHFFFAOYSA-M
MW194.26 g/mol
LogP-1.58
Rot. Bonds1

About sodium 6-methyl-2-methylsulfanylpyrimidine-4-thiolate

sodium 6-methyl-2-methylsulfanylpyrimidine-4-thiolate (PubChem CID 163331357) has the molecular formula C6H7N2NaS2 and a molecular weight of 194.26 g/mol. Its IUPAC name is sodium 6-methyl-2-methylsulfanylpyrimidine-4-thiolate.

Molecular Properties

Compound Namesodium 6-methyl-2-methylsulfanylpyrimidine-4-thiolate
PubChem CID163331357
Molecular FormulaC6H7N2NaS2
Molecular Weight194.26 g/mol
Exact Mass193.99
IUPAC Namesodium 6-methyl-2-methylsulfanylpyrimidine-4-thiolate
SMILESCSc1nc(C)cc([S-])n1.[Na+]
InChIInChI=1S/C6H8N2S2.Na/c1-4-3-5(9)8-6(7-4)10-2;/h3H,1-2H3,(H,7,8,9);/q;+1/p-1
InChIKeyINFUCLHBHHGNJY-UHFFFAOYSA-M
XLogP-1.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-1.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 6-methyl-2-methylsulfanylpyrimidine-4-thiolate?
The IUPAC name of sodium 6-methyl-2-methylsulfanylpyrimidine-4-thiolate (CID 163331357) is sodium 6-methyl-2-methylsulfanylpyrimidine-4-thiolate.
What is the SMILES notation for sodium 6-methyl-2-methylsulfanylpyrimidine-4-thiolate?
The canonical SMILES for sodium 6-methyl-2-methylsulfanylpyrimidine-4-thiolate is CSc1nc(C)cc([S-])n1.[Na+].
What is the InChIKey of sodium 6-methyl-2-methylsulfanylpyrimidine-4-thiolate?
The InChIKey is INFUCLHBHHGNJY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N2S2.Na/c1-4-3-5(9)8-6(7-4)10-2;/h3H,1-2H3,(H,7,8,9);/q;+1/p-1.
What are the key properties of sodium 6-methyl-2-methylsulfanylpyrimidine-4-thiolate?
sodium 6-methyl-2-methylsulfanylpyrimidine-4-thiolate has a molecular weight of 194.26 g/mol, XLogP of -1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-methyl-2-methylsulfanylpyrimidine-4-thiolate is sourced from PubChem (CID 163331357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).