(1-methyl-5-methylsulfanylimidazol-2-yl)methanol

C6H10N2OS — CID 130128847

IUPAC(1-methyl-5-methylsulfanylimidazol-2-yl)methanol
SMILESCSc1cnc(CO)n1C
InChIInChI=1S/C6H10N2OS/c1-8-5(4-9)7-3-6(8)10-2/h3,9H,4H2,1-2H3
InChIKeyQSTKBQWJSPVJTF-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.63
Rot. Bonds2

About (1-methyl-5-methylsulfanylimidazol-2-yl)methanol

(1-methyl-5-methylsulfanylimidazol-2-yl)methanol (PubChem CID 130128847) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is (1-methyl-5-methylsulfanylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(1-methyl-5-methylsulfanylimidazol-2-yl)methanol
PubChem CID130128847
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name(1-methyl-5-methylsulfanylimidazol-2-yl)methanol
SMILESCSc1cnc(CO)n1C
InChIInChI=1S/C6H10N2OS/c1-8-5(4-9)7-3-6(8)10-2/h3,9H,4H2,1-2H3
InChIKeyQSTKBQWJSPVJTF-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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Related Compounds

(1-methyl-1H-imidazol-2-yl)methanol
CID 573612
(1-ethyl-1H-imidazol-2-yl)methanol
CID 581042
2-(((1-methyl-1H-imidazol-2-yl)methyl)sulfanyl)ethan-1-ol
CID 43502621
4-(2-Aminoethyl)thio-2-methylimidazole-1-ethanol
CID 127603
1,2-Dimethyl-5-methylsulfanyl-1h-imidazole
CID 10844489
(1,3-Dimethylimidazol-1-ium-2-yl)methanol
CID 89179072
1,2-Dimethyl-4-methylsulfinylimidazole
CID 10558902
[1-[2-(Trifluoromethylsulfanyl)ethyl]imidazol-2-yl]methanol
CID 116617012
(1-Methyl-5-methylsulfinylimidazol-2-yl)methanol
CID 130128844
2-[(1-methyl-1H-imidazol-2-yl)thio]ethan-1-ol
CID 2774845
1,2-Dimethyl-4-methylsulfanylimidazole
CID 10820636
1-Methyl-4-methylsulfanylimidazole
CID 12478315

Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-methylsulfanylimidazol-2-yl)methanol?
The IUPAC name of (1-methyl-5-methylsulfanylimidazol-2-yl)methanol (CID 130128847) is (1-methyl-5-methylsulfanylimidazol-2-yl)methanol.
What is the SMILES notation for (1-methyl-5-methylsulfanylimidazol-2-yl)methanol?
The canonical SMILES for (1-methyl-5-methylsulfanylimidazol-2-yl)methanol is CSc1cnc(CO)n1C.
What is the InChIKey of (1-methyl-5-methylsulfanylimidazol-2-yl)methanol?
The InChIKey is QSTKBQWJSPVJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-8-5(4-9)7-3-6(8)10-2/h3,9H,4H2,1-2H3.
What are the key properties of (1-methyl-5-methylsulfanylimidazol-2-yl)methanol?
(1-methyl-5-methylsulfanylimidazol-2-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 (1-methyl-5-methylsulfanylimidazol-2-yl)methanol is sourced from PubChem (CID 130128847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).