(4E)-1-methyl-5-methylidene-4-[(E)-2-methylsulfanylbut-2-enylidene]imidazole

C10H14N2S — CID 89470467

IUPAC(4E)-1-methyl-5-methylidene-4-[(E)-2-methylsulfanylbut-2-enylidene]imidazole
SMILESC=c1/c(=C\C(=C/C)SC)ncn1C
InChIInChI=1S/C10H14N2S/c1-5-9(13-4)6-10-8(2)12(3)7-11-10/h5-7H,2H2,1,3-4H3/b9-5+,10-6+
InChIKeyKCWWRZPQAKHICH-NXZHAISVSA-N
MW194.30 g/mol
LogP0.88
Rot. Bonds2

About (4E)-1-methyl-5-methylidene-4-[(E)-2-methylsulfanylbut-2-enylidene]imidazole

(4E)-1-methyl-5-methylidene-4-[(E)-2-methylsulfanylbut-2-enylidene]imidazole (PubChem CID 89470467) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is (4E)-1-methyl-5-methylidene-4-[(E)-2-methylsulfanylbut-2-enylidene]imidazole.

Molecular Properties

Compound Name(4E)-1-methyl-5-methylidene-4-[(E)-2-methylsulfanylbut-2-enylidene]imidazole
PubChem CID89470467
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name(4E)-1-methyl-5-methylidene-4-[(E)-2-methylsulfanylbut-2-enylidene]imidazole
SMILESC=c1/c(=C\C(=C/C)SC)ncn1C
InChIInChI=1S/C10H14N2S/c1-5-9(13-4)6-10-8(2)12(3)7-11-10/h5-7H,2H2,1,3-4H3/b9-5+,10-6+
InChIKeyKCWWRZPQAKHICH-NXZHAISVSA-N
XLogP0.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4E)-1-methyl-5-methylidene-4-[(E)-2-methylsulfanylbut-2-enylidene]imidazole?
The IUPAC name of (4E)-1-methyl-5-methylidene-4-[(E)-2-methylsulfanylbut-2-enylidene]imidazole (CID 89470467) is (4E)-1-methyl-5-methylidene-4-[(E)-2-methylsulfanylbut-2-enylidene]imidazole.
What is the SMILES notation for (4E)-1-methyl-5-methylidene-4-[(E)-2-methylsulfanylbut-2-enylidene]imidazole?
The canonical SMILES for (4E)-1-methyl-5-methylidene-4-[(E)-2-methylsulfanylbut-2-enylidene]imidazole is C=c1/c(=C\C(=C/C)SC)ncn1C.
What is the InChIKey of (4E)-1-methyl-5-methylidene-4-[(E)-2-methylsulfanylbut-2-enylidene]imidazole?
The InChIKey is KCWWRZPQAKHICH-NXZHAISVSA-N. The full InChI is InChI=1S/C10H14N2S/c1-5-9(13-4)6-10-8(2)12(3)7-11-10/h5-7H,2H2,1,3-4H3/b9-5+,10-6+.
What are the key properties of (4E)-1-methyl-5-methylidene-4-[(E)-2-methylsulfanylbut-2-enylidene]imidazole?
(4E)-1-methyl-5-methylidene-4-[(E)-2-methylsulfanylbut-2-enylidene]imidazole has a molecular weight of 194.30 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1-methyl-5-methylidene-4-[(E)-2-methylsulfanylbut-2-enylidene]imidazole is sourced from PubChem (CID 89470467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).