2-ethylsulfanyl-6-methyl-1H-pyrimidine-4-thione

C7H10N2S2 — CID 4057010

IUPAC2-ethylsulfanyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCSc1nc(=S)cc(C)[nH]1
InChIInChI=1S/C7H10N2S2/c1-3-11-7-8-5(2)4-6(10)9-7/h4H,3H2,1-2H3,(H,8,9,10)
InChIKeyGMNKCZROCVXPTB-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.56
Rot. Bonds2

About 2-ethylsulfanyl-6-methyl-1H-pyrimidine-4-thione

2-ethylsulfanyl-6-methyl-1H-pyrimidine-4-thione (PubChem CID 4057010) has the molecular formula C7H10N2S2 and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-ethylsulfanyl-6-methyl-1H-pyrimidine-4-thione
PubChem CID4057010
Molecular FormulaC7H10N2S2
Molecular Weight186.30 g/mol
Exact Mass186.03
IUPAC Name2-ethylsulfanyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCSc1nc(=S)cc(C)[nH]1
InChIInChI=1S/C7H10N2S2/c1-3-11-7-8-5(2)4-6(10)9-7/h4H,3H2,1-2H3,(H,8,9,10)
InChIKeyGMNKCZROCVXPTB-UHFFFAOYSA-N
XLogP2.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.56
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 2-ethylsulfanyl-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-ethylsulfanyl-6-methyl-1H-pyrimidine-4-thione (CID 4057010) is 2-ethylsulfanyl-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-ethylsulfanyl-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-ethylsulfanyl-6-methyl-1H-pyrimidine-4-thione is CCSc1nc(=S)cc(C)[nH]1.
What is the InChIKey of 2-ethylsulfanyl-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is GMNKCZROCVXPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S2/c1-3-11-7-8-5(2)4-6(10)9-7/h4H,3H2,1-2H3,(H,8,9,10).
What are the key properties of 2-ethylsulfanyl-6-methyl-1H-pyrimidine-4-thione?
2-ethylsulfanyl-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 186.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 4057010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).