4-hydroxy-5-(methylsulfanylmethyl)-1,3-dihydroimidazol-2-one

C5H8N2O2S — CID 90787346

IUPAC4-hydroxy-5-(methylsulfanylmethyl)-1,3-dihydroimidazol-2-one
SMILESCSCc1[nH]c(=O)[nH]c1O
InChIInChI=1S/C5H8N2O2S/c1-10-2-3-4(8)7-5(9)6-3/h8H,2H2,1H3,(H2,6,7,9)
InChIKeyUOTXMKZEAXIAJR-UHFFFAOYSA-N
MW160.20 g/mol
LogP0.27
Rot. Bonds2

About 4-hydroxy-5-(methylsulfanylmethyl)-1,3-dihydroimidazol-2-one

4-hydroxy-5-(methylsulfanylmethyl)-1,3-dihydroimidazol-2-one (PubChem CID 90787346) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 4-hydroxy-5-(methylsulfanylmethyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(methylsulfanylmethyl)-1,3-dihydroimidazol-2-one
PubChem CID90787346
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name4-hydroxy-5-(methylsulfanylmethyl)-1,3-dihydroimidazol-2-one
SMILESCSCc1[nH]c(=O)[nH]c1O
InChIInChI=1S/C5H8N2O2S/c1-10-2-3-4(8)7-5(9)6-3/h8H,2H2,1H3,(H2,6,7,9)
InChIKeyUOTXMKZEAXIAJR-UHFFFAOYSA-N
XLogP0.27
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(methylsulfanylmethyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-hydroxy-5-(methylsulfanylmethyl)-1,3-dihydroimidazol-2-one (CID 90787346) is 4-hydroxy-5-(methylsulfanylmethyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-hydroxy-5-(methylsulfanylmethyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-hydroxy-5-(methylsulfanylmethyl)-1,3-dihydroimidazol-2-one is CSCc1[nH]c(=O)[nH]c1O.
What is the InChIKey of 4-hydroxy-5-(methylsulfanylmethyl)-1,3-dihydroimidazol-2-one?
The InChIKey is UOTXMKZEAXIAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c1-10-2-3-4(8)7-5(9)6-3/h8H,2H2,1H3,(H2,6,7,9).
What are the key properties of 4-hydroxy-5-(methylsulfanylmethyl)-1,3-dihydroimidazol-2-one?
4-hydroxy-5-(methylsulfanylmethyl)-1,3-dihydroimidazol-2-one has a molecular weight of 160.20 g/mol, XLogP of 0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(methylsulfanylmethyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 90787346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).