1-methyl-2H-pyrimidine-2-thiol

C5H8N2S — CID 19829472

IUPAC1-methyl-2H-pyrimidine-2-thiol
SMILESCN1C=CC=NC1S
InChIInChI=1S/C5H8N2S/c1-7-4-2-3-6-5(7)8/h2-5,8H,1H3
InChIKeyOCVOTIDQZUZQGB-UHFFFAOYSA-N
MW128.20 g/mol
LogP0.73
Rot. Bonds

About 1-methyl-2H-pyrimidine-2-thiol

1-methyl-2H-pyrimidine-2-thiol (PubChem CID 19829472) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 1-methyl-2H-pyrimidine-2-thiol.

Molecular Properties

Compound Name1-methyl-2H-pyrimidine-2-thiol
PubChem CID19829472
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name1-methyl-2H-pyrimidine-2-thiol
SMILESCN1C=CC=NC1S
InChIInChI=1S/C5H8N2S/c1-7-4-2-3-6-5(7)8/h2-5,8H,1H3
InChIKeyOCVOTIDQZUZQGB-UHFFFAOYSA-N
XLogP0.73
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2H-pyrimidine-2-thiol?
The IUPAC name of 1-methyl-2H-pyrimidine-2-thiol (CID 19829472) is 1-methyl-2H-pyrimidine-2-thiol.
What is the SMILES notation for 1-methyl-2H-pyrimidine-2-thiol?
The canonical SMILES for 1-methyl-2H-pyrimidine-2-thiol is CN1C=CC=NC1S.
What is the InChIKey of 1-methyl-2H-pyrimidine-2-thiol?
The InChIKey is OCVOTIDQZUZQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-7-4-2-3-6-5(7)8/h2-5,8H,1H3.
What are the key properties of 1-methyl-2H-pyrimidine-2-thiol?
1-methyl-2H-pyrimidine-2-thiol has a molecular weight of 128.20 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2H-pyrimidine-2-thiol is sourced from PubChem (CID 19829472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).