2-methyl-4-methylsulfanyl-1H-pyrimidine-6-thione

C6H8N2S2 — CID 13223195

IUPAC2-methyl-4-methylsulfanyl-1H-pyrimidine-6-thione
SMILESCSc1cc(=S)[nH]c(C)n1
InChIInChI=1S/C6H8N2S2/c1-4-7-5(9)3-6(8-4)10-2/h3H,1-2H3,(H,7,8,9)
InChIKeyBMYWXMVDLXVRQA-UHFFFAOYSA-N
MW172.28 g/mol
LogP2.17
Rot. Bonds1

About 2-methyl-4-methylsulfanyl-1H-pyrimidine-6-thione

2-methyl-4-methylsulfanyl-1H-pyrimidine-6-thione (PubChem CID 13223195) has the molecular formula C6H8N2S2 and a molecular weight of 172.28 g/mol. Its IUPAC name is 2-methyl-4-methylsulfanyl-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-methyl-4-methylsulfanyl-1H-pyrimidine-6-thione
PubChem CID13223195
Molecular FormulaC6H8N2S2
Molecular Weight172.28 g/mol
Exact Mass172.01
IUPAC Name2-methyl-4-methylsulfanyl-1H-pyrimidine-6-thione
SMILESCSc1cc(=S)[nH]c(C)n1
InChIInChI=1S/C6H8N2S2/c1-4-7-5(9)3-6(8-4)10-2/h3H,1-2H3,(H,7,8,9)
InChIKeyBMYWXMVDLXVRQA-UHFFFAOYSA-N
XLogP2.17
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylsulfanyl-1H-pyrimidine-6-thione?
The IUPAC name of 2-methyl-4-methylsulfanyl-1H-pyrimidine-6-thione (CID 13223195) is 2-methyl-4-methylsulfanyl-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-methyl-4-methylsulfanyl-1H-pyrimidine-6-thione?
The canonical SMILES for 2-methyl-4-methylsulfanyl-1H-pyrimidine-6-thione is CSc1cc(=S)[nH]c(C)n1.
What is the InChIKey of 2-methyl-4-methylsulfanyl-1H-pyrimidine-6-thione?
The InChIKey is BMYWXMVDLXVRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S2/c1-4-7-5(9)3-6(8-4)10-2/h3H,1-2H3,(H,7,8,9).
What are the key properties of 2-methyl-4-methylsulfanyl-1H-pyrimidine-6-thione?
2-methyl-4-methylsulfanyl-1H-pyrimidine-6-thione has a molecular weight of 172.28 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylsulfanyl-1H-pyrimidine-6-thione is sourced from PubChem (CID 13223195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).