5-chloro-6-methyl-1H-pyrimidine-4-thione

C5H5ClN2S — CID 11062685

IUPAC5-chloro-6-methyl-1H-pyrimidine-4-thione
SMILESCc1[nH]cnc(=S)c1Cl
InChIInChI=1S/C5H5ClN2S/c1-3-4(6)5(9)8-2-7-3/h2H,1H3,(H,7,8,9)
InChIKeyJHDUASSWVPLLMT-UHFFFAOYSA-N
MW160.63 g/mol
LogP2.10
Rot. Bonds

About 5-chloro-6-methyl-1H-pyrimidine-4-thione

5-chloro-6-methyl-1H-pyrimidine-4-thione (PubChem CID 11062685) has the molecular formula C5H5ClN2S and a molecular weight of 160.63 g/mol. Its IUPAC name is 5-chloro-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-chloro-6-methyl-1H-pyrimidine-4-thione
PubChem CID11062685
Molecular FormulaC5H5ClN2S
Molecular Weight160.63 g/mol
Exact Mass159.99
IUPAC Name5-chloro-6-methyl-1H-pyrimidine-4-thione
SMILESCc1[nH]cnc(=S)c1Cl
InChIInChI=1S/C5H5ClN2S/c1-3-4(6)5(9)8-2-7-3/h2H,1H3,(H,7,8,9)
InChIKeyJHDUASSWVPLLMT-UHFFFAOYSA-N
XLogP2.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.63
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chloro-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-chloro-6-methyl-1H-pyrimidine-4-thione (CID 11062685) is 5-chloro-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-chloro-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-chloro-6-methyl-1H-pyrimidine-4-thione is Cc1[nH]cnc(=S)c1Cl.
What is the InChIKey of 5-chloro-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is JHDUASSWVPLLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2S/c1-3-4(6)5(9)8-2-7-3/h2H,1H3,(H,7,8,9).
What are the key properties of 5-chloro-6-methyl-1H-pyrimidine-4-thione?
5-chloro-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 160.63 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 11062685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).