8-methyl-2-methylsulfanyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-4-thione

C7H10N4S2 — CID 45097400

IUPAC8-methyl-2-methylsulfanyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-4-thione
SMILESCSc1nc2n(c(=S)n1)CCN2C
InChIInChI=1S/C7H10N4S2/c1-10-3-4-11-6(10)8-5(13-2)9-7(11)12/h3-4H2,1-2H3
InChIKeyXCBISVFWFASKMB-UHFFFAOYSA-N
MW214.32 g/mol
LogP1.18
Rot. Bonds1

About 8-methyl-2-methylsulfanyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-4-thione

8-methyl-2-methylsulfanyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-4-thione (PubChem CID 45097400) has the molecular formula C7H10N4S2 and a molecular weight of 214.32 g/mol. Its IUPAC name is 8-methyl-2-methylsulfanyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-4-thione.

Molecular Properties

Compound Name8-methyl-2-methylsulfanyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-4-thione
PubChem CID45097400
Molecular FormulaC7H10N4S2
Molecular Weight214.32 g/mol
Exact Mass214.03
IUPAC Name8-methyl-2-methylsulfanyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-4-thione
SMILESCSc1nc2n(c(=S)n1)CCN2C
InChIInChI=1S/C7H10N4S2/c1-10-3-4-11-6(10)8-5(13-2)9-7(11)12/h3-4H2,1-2H3
InChIKeyXCBISVFWFASKMB-UHFFFAOYSA-N
XLogP1.18
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 8-methyl-2-methylsulfanyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-4-thione?
The IUPAC name of 8-methyl-2-methylsulfanyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-4-thione (CID 45097400) is 8-methyl-2-methylsulfanyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-4-thione.
What is the SMILES notation for 8-methyl-2-methylsulfanyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-4-thione?
The canonical SMILES for 8-methyl-2-methylsulfanyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-4-thione is CSc1nc2n(c(=S)n1)CCN2C.
What is the InChIKey of 8-methyl-2-methylsulfanyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-4-thione?
The InChIKey is XCBISVFWFASKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S2/c1-10-3-4-11-6(10)8-5(13-2)9-7(11)12/h3-4H2,1-2H3.
What are the key properties of 8-methyl-2-methylsulfanyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-4-thione?
8-methyl-2-methylsulfanyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-4-thione has a molecular weight of 214.32 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-methylsulfanyl-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-4-thione is sourced from PubChem (CID 45097400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).