6-methyl-2-methylsulfanylpyrimidine-4-thiolate

C6H7N2S2- — CID 53491182

IUPAC6-methyl-2-methylsulfanylpyrimidine-4-thiolate
SMILESCSc1nc(C)cc([S-])n1
InChIInChI=1S/C6H8N2S2/c1-4-3-5(9)8-6(7-4)10-2/h3H,1-2H3,(H,7,8,9)/p-1
InChIKeyPWIVSHYPWDPRDY-UHFFFAOYSA-M
MW171.27 g/mol
LogP1.41
Rot. Bonds1

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

6-methyl-2-methylsulfanylpyrimidine-4-thiolate (PubChem CID 53491182) has the molecular formula C6H7N2S2- and a molecular weight of 171.27 g/mol. Its IUPAC name is 6-methyl-2-methylsulfanylpyrimidine-4-thiolate.

Molecular Properties

Compound Name6-methyl-2-methylsulfanylpyrimidine-4-thiolate
PubChem CID53491182
Molecular FormulaC6H7N2S2-
Molecular Weight171.27 g/mol
Exact Mass171.01
IUPAC Name6-methyl-2-methylsulfanylpyrimidine-4-thiolate
SMILESCSc1nc(C)cc([S-])n1
InChIInChI=1S/C6H8N2S2/c1-4-3-5(9)8-6(7-4)10-2/h3H,1-2H3,(H,7,8,9)/p-1
InChIKeyPWIVSHYPWDPRDY-UHFFFAOYSA-M
XLogP1.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.41
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 6-methyl-2-methylsulfanylpyrimidine-4-thiolate?
The IUPAC name of 6-methyl-2-methylsulfanylpyrimidine-4-thiolate (CID 53491182) is 6-methyl-2-methylsulfanylpyrimidine-4-thiolate.
What is the SMILES notation for 6-methyl-2-methylsulfanylpyrimidine-4-thiolate?
The canonical SMILES for 6-methyl-2-methylsulfanylpyrimidine-4-thiolate is CSc1nc(C)cc([S-])n1.
What is the InChIKey of 6-methyl-2-methylsulfanylpyrimidine-4-thiolate?
The InChIKey is PWIVSHYPWDPRDY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N2S2/c1-4-3-5(9)8-6(7-4)10-2/h3H,1-2H3,(H,7,8,9)/p-1.
What are the key properties of 6-methyl-2-methylsulfanylpyrimidine-4-thiolate?
6-methyl-2-methylsulfanylpyrimidine-4-thiolate has a molecular weight of 171.27 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfanylpyrimidine-4-thiolate is sourced from PubChem (CID 53491182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).