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

C5H6N2S2 — CID 71381066

IUPAC4-methylsulfanyl-1H-pyrimidine-6-thione
SMILESCSc1cc(=S)[nH]cn1
InChIInChI=1S/C5H6N2S2/c1-9-5-2-4(8)6-3-7-5/h2-3H,1H3,(H,6,7,8)
InChIKeyOGTFGEDYQQFWQD-UHFFFAOYSA-N
MW158.25 g/mol
LogP1.86
Rot. Bonds1

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

4-methylsulfanyl-1H-pyrimidine-6-thione (PubChem CID 71381066) has the molecular formula C5H6N2S2 and a molecular weight of 158.25 g/mol. Its IUPAC name is 4-methylsulfanyl-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name4-methylsulfanyl-1H-pyrimidine-6-thione
PubChem CID71381066
Molecular FormulaC5H6N2S2
Molecular Weight158.25 g/mol
Exact Mass158.00
IUPAC Name4-methylsulfanyl-1H-pyrimidine-6-thione
SMILESCSc1cc(=S)[nH]cn1
InChIInChI=1S/C5H6N2S2/c1-9-5-2-4(8)6-3-7-5/h2-3H,1H3,(H,6,7,8)
InChIKeyOGTFGEDYQQFWQD-UHFFFAOYSA-N
XLogP1.86
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 51.86
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 4-methylsulfanyl-1H-pyrimidine-6-thione?
The IUPAC name of 4-methylsulfanyl-1H-pyrimidine-6-thione (CID 71381066) is 4-methylsulfanyl-1H-pyrimidine-6-thione.
What is the SMILES notation for 4-methylsulfanyl-1H-pyrimidine-6-thione?
The canonical SMILES for 4-methylsulfanyl-1H-pyrimidine-6-thione is CSc1cc(=S)[nH]cn1.
What is the InChIKey of 4-methylsulfanyl-1H-pyrimidine-6-thione?
The InChIKey is OGTFGEDYQQFWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S2/c1-9-5-2-4(8)6-3-7-5/h2-3H,1H3,(H,6,7,8).
What are the key properties of 4-methylsulfanyl-1H-pyrimidine-6-thione?
4-methylsulfanyl-1H-pyrimidine-6-thione has a molecular weight of 158.25 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-1H-pyrimidine-6-thione is sourced from PubChem (CID 71381066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).