(3-methyl-2-methylsulfanylimidazol-4-yl)methanol

C6H10N2OS — CID 638694

IUPAC(3-methyl-2-methylsulfanylimidazol-4-yl)methanol
SMILESCSc1ncc(CO)n1C
InChIInChI=1S/C6H10N2OS/c1-8-5(4-9)3-7-6(8)10-2/h3,9H,4H2,1-2H3
InChIKeyJSGNXGJXVXAVGU-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.63
Rot. Bonds2

About (3-methyl-2-methylsulfanylimidazol-4-yl)methanol

(3-methyl-2-methylsulfanylimidazol-4-yl)methanol (PubChem CID 638694) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is (3-methyl-2-methylsulfanylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-methyl-2-methylsulfanylimidazol-4-yl)methanol
PubChem CID638694
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name(3-methyl-2-methylsulfanylimidazol-4-yl)methanol
SMILESCSc1ncc(CO)n1C
InChIInChI=1S/C6H10N2OS/c1-8-5(4-9)3-7-6(8)10-2/h3,9H,4H2,1-2H3
InChIKeyJSGNXGJXVXAVGU-UHFFFAOYSA-N
XLogP0.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-methylsulfanylimidazol-4-yl)methanol?
The IUPAC name of (3-methyl-2-methylsulfanylimidazol-4-yl)methanol (CID 638694) is (3-methyl-2-methylsulfanylimidazol-4-yl)methanol.
What is the SMILES notation for (3-methyl-2-methylsulfanylimidazol-4-yl)methanol?
The canonical SMILES for (3-methyl-2-methylsulfanylimidazol-4-yl)methanol is CSc1ncc(CO)n1C.
What is the InChIKey of (3-methyl-2-methylsulfanylimidazol-4-yl)methanol?
The InChIKey is JSGNXGJXVXAVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-8-5(4-9)3-7-6(8)10-2/h3,9H,4H2,1-2H3.
What are the key properties of (3-methyl-2-methylsulfanylimidazol-4-yl)methanol?
(3-methyl-2-methylsulfanylimidazol-4-yl)methanol has a molecular weight of 158.23 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-methylsulfanylimidazol-4-yl)methanol is sourced from PubChem (CID 638694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).