5-methyl-6-(2-methylthiophen-3-yl)-1H-pyrimidine-2-thione

C10H10N2S2 — CID 106522744

IUPAC5-methyl-6-(2-methylthiophen-3-yl)-1H-pyrimidine-2-thione
SMILESCc1cnc(=S)[nH]c1-c1ccsc1C
InChIInChI=1S/C10H10N2S2/c1-6-5-11-10(13)12-9(6)8-3-4-14-7(8)2/h3-5H,1-2H3,(H,11,12,13)
InChIKeyPVQJPKCVJMKXIG-UHFFFAOYSA-N
MW222.34 g/mol
LogP3.48
Rot. Bonds1

About 5-methyl-6-(2-methylthiophen-3-yl)-1H-pyrimidine-2-thione

5-methyl-6-(2-methylthiophen-3-yl)-1H-pyrimidine-2-thione (PubChem CID 106522744) has the molecular formula C10H10N2S2 and a molecular weight of 222.34 g/mol. Its IUPAC name is 5-methyl-6-(2-methylthiophen-3-yl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name5-methyl-6-(2-methylthiophen-3-yl)-1H-pyrimidine-2-thione
PubChem CID106522744
Molecular FormulaC10H10N2S2
Molecular Weight222.34 g/mol
Exact Mass222.03
IUPAC Name5-methyl-6-(2-methylthiophen-3-yl)-1H-pyrimidine-2-thione
SMILESCc1cnc(=S)[nH]c1-c1ccsc1C
InChIInChI=1S/C10H10N2S2/c1-6-5-11-10(13)12-9(6)8-3-4-14-7(8)2/h3-5H,1-2H3,(H,11,12,13)
InChIKeyPVQJPKCVJMKXIG-UHFFFAOYSA-N
XLogP3.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 53.48
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 5-methyl-6-(2-methylthiophen-3-yl)-1H-pyrimidine-2-thione?
The IUPAC name of 5-methyl-6-(2-methylthiophen-3-yl)-1H-pyrimidine-2-thione (CID 106522744) is 5-methyl-6-(2-methylthiophen-3-yl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 5-methyl-6-(2-methylthiophen-3-yl)-1H-pyrimidine-2-thione?
The canonical SMILES for 5-methyl-6-(2-methylthiophen-3-yl)-1H-pyrimidine-2-thione is Cc1cnc(=S)[nH]c1-c1ccsc1C.
What is the InChIKey of 5-methyl-6-(2-methylthiophen-3-yl)-1H-pyrimidine-2-thione?
The InChIKey is PVQJPKCVJMKXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S2/c1-6-5-11-10(13)12-9(6)8-3-4-14-7(8)2/h3-5H,1-2H3,(H,11,12,13).
What are the key properties of 5-methyl-6-(2-methylthiophen-3-yl)-1H-pyrimidine-2-thione?
5-methyl-6-(2-methylthiophen-3-yl)-1H-pyrimidine-2-thione has a molecular weight of 222.34 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(2-methylthiophen-3-yl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 106522744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).