1-methyl-2-(1-methylimidazol-2-yl)sulfanylimidazole

C8H10N4S — CID 13357483

IUPAC1-methyl-2-(1-methylimidazol-2-yl)sulfanylimidazole
SMILESCn1ccnc1Sc1nccn1C
InChIInChI=1S/C8H10N4S/c1-11-5-3-9-7(11)13-8-10-4-6-12(8)2/h3-6H,1-2H3
InChIKeyQHCYYWWIJWKWRC-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.30
Rot. Bonds2

About 1-methyl-2-(1-methylimidazol-2-yl)sulfanylimidazole

1-methyl-2-(1-methylimidazol-2-yl)sulfanylimidazole (PubChem CID 13357483) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-methyl-2-(1-methylimidazol-2-yl)sulfanylimidazole.

Molecular Properties

Compound Name1-methyl-2-(1-methylimidazol-2-yl)sulfanylimidazole
PubChem CID13357483
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name1-methyl-2-(1-methylimidazol-2-yl)sulfanylimidazole
SMILESCn1ccnc1Sc1nccn1C
InChIInChI=1S/C8H10N4S/c1-11-5-3-9-7(11)13-8-10-4-6-12(8)2/h3-6H,1-2H3
InChIKeyQHCYYWWIJWKWRC-UHFFFAOYSA-N
XLogP1.30
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-methylimidazol-2-yl)sulfanylimidazole?
The IUPAC name of 1-methyl-2-(1-methylimidazol-2-yl)sulfanylimidazole (CID 13357483) is 1-methyl-2-(1-methylimidazol-2-yl)sulfanylimidazole.
What is the SMILES notation for 1-methyl-2-(1-methylimidazol-2-yl)sulfanylimidazole?
The canonical SMILES for 1-methyl-2-(1-methylimidazol-2-yl)sulfanylimidazole is Cn1ccnc1Sc1nccn1C.
What is the InChIKey of 1-methyl-2-(1-methylimidazol-2-yl)sulfanylimidazole?
The InChIKey is QHCYYWWIJWKWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-11-5-3-9-7(11)13-8-10-4-6-12(8)2/h3-6H,1-2H3.
What are the key properties of 1-methyl-2-(1-methylimidazol-2-yl)sulfanylimidazole?
1-methyl-2-(1-methylimidazol-2-yl)sulfanylimidazole has a molecular weight of 194.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-methylimidazol-2-yl)sulfanylimidazole is sourced from PubChem (CID 13357483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).