6-methyl-2-(1-methylsulfonylethyl)-1H-pyrimidine-4-thione

C8H12N2O2S2 — CID 106475655

IUPAC6-methyl-2-(1-methylsulfonylethyl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C(C)S(C)(=O)=O)[nH]1
InChIInChI=1S/C8H12N2O2S2/c1-5-4-7(13)10-8(9-5)6(2)14(3,11)12/h4,6H,1-3H3,(H,9,10,13)
InChIKeyHOUUSUJNMFDCRE-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.55
Rot. Bonds2

About 6-methyl-2-(1-methylsulfonylethyl)-1H-pyrimidine-4-thione

6-methyl-2-(1-methylsulfonylethyl)-1H-pyrimidine-4-thione (PubChem CID 106475655) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-methyl-2-(1-methylsulfonylethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(1-methylsulfonylethyl)-1H-pyrimidine-4-thione
PubChem CID106475655
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC Name6-methyl-2-(1-methylsulfonylethyl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C(C)S(C)(=O)=O)[nH]1
InChIInChI=1S/C8H12N2O2S2/c1-5-4-7(13)10-8(9-5)6(2)14(3,11)12/h4,6H,1-3H3,(H,9,10,13)
InChIKeyHOUUSUJNMFDCRE-UHFFFAOYSA-N
XLogP1.55
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methylsulfonylmethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475123
2-(1-methylsulfonylethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475141
2-(methylsulfonylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475381
2-(1-methylsulfonylethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475399
6-methyl-2-(methylsulfonylmethyl)-1H-pyrimidine-4-thione
CID 106475638
2-(1,1-dioxothiolan-3-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475796
6-tert-butyl-2-(methylsulfonylmethyl)-1H-pyrimidine-4-thione
CID 106475886
6-ethyl-2-(methylsulfonylmethyl)-1H-pyrimidine-4-thione
CID 106476140
6-ethyl-2-(1-methylsulfonylethyl)-1H-pyrimidine-4-thione
CID 106476156
5,6-dimethyl-2-(methylsulfonylmethyl)-1H-pyrimidine-4-thione
CID 106476662
5,6-dimethyl-2-(1-methylsulfonylethyl)-1H-pyrimidine-4-thione
CID 106476678
6-cyclopropyl-2-(1-methylsulfonylethyl)-1H-pyrimidine-4-thione
CID 106478435

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1-methylsulfonylethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(1-methylsulfonylethyl)-1H-pyrimidine-4-thione (CID 106475655) is 6-methyl-2-(1-methylsulfonylethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(1-methylsulfonylethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(1-methylsulfonylethyl)-1H-pyrimidine-4-thione is Cc1cc(=S)nc(C(C)S(C)(=O)=O)[nH]1.
What is the InChIKey of 6-methyl-2-(1-methylsulfonylethyl)-1H-pyrimidine-4-thione?
The InChIKey is HOUUSUJNMFDCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c1-5-4-7(13)10-8(9-5)6(2)14(3,11)12/h4,6H,1-3H3,(H,9,10,13).
What are the key properties of 6-methyl-2-(1-methylsulfonylethyl)-1H-pyrimidine-4-thione?
6-methyl-2-(1-methylsulfonylethyl)-1H-pyrimidine-4-thione has a molecular weight of 232.33 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1-methylsulfonylethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).