methyl (5R)-2-methylsulfanyl-4,5-dihydro-1H-imidazole-5-carboxylate

C6H10N2O2S — CID 91570585

IUPACmethyl (5R)-2-methylsulfanyl-4,5-dihydro-1H-imidazole-5-carboxylate
SMILESCOC(=O)[C@H]1CN=C(SC)N1
InChIInChI=1S/C6H10N2O2S/c1-10-5(9)4-3-7-6(8-4)11-2/h4H,3H2,1-2H3,(H,7,8)/t4-/m1/s1
InChIKeyOHHVWLXKVXOCEB-SCSAIBSYSA-N
MW174.22 g/mol
LogP-0.15
Rot. Bonds1

About methyl (5R)-2-methylsulfanyl-4,5-dihydro-1H-imidazole-5-carboxylate

methyl (5R)-2-methylsulfanyl-4,5-dihydro-1H-imidazole-5-carboxylate (PubChem CID 91570585) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is methyl (5R)-2-methylsulfanyl-4,5-dihydro-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl (5R)-2-methylsulfanyl-4,5-dihydro-1H-imidazole-5-carboxylate
PubChem CID91570585
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Namemethyl (5R)-2-methylsulfanyl-4,5-dihydro-1H-imidazole-5-carboxylate
SMILESCOC(=O)[C@H]1CN=C(SC)N1
InChIInChI=1S/C6H10N2O2S/c1-10-5(9)4-3-7-6(8-4)11-2/h4H,3H2,1-2H3,(H,7,8)/t4-/m1/s1
InChIKeyOHHVWLXKVXOCEB-SCSAIBSYSA-N
XLogP-0.15
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (5R)-2-methylsulfanyl-4,5-dihydro-1H-imidazole-5-carboxylate?
The IUPAC name of methyl (5R)-2-methylsulfanyl-4,5-dihydro-1H-imidazole-5-carboxylate (CID 91570585) is methyl (5R)-2-methylsulfanyl-4,5-dihydro-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl (5R)-2-methylsulfanyl-4,5-dihydro-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl (5R)-2-methylsulfanyl-4,5-dihydro-1H-imidazole-5-carboxylate is COC(=O)[C@H]1CN=C(SC)N1.
What is the InChIKey of methyl (5R)-2-methylsulfanyl-4,5-dihydro-1H-imidazole-5-carboxylate?
The InChIKey is OHHVWLXKVXOCEB-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-10-5(9)4-3-7-6(8-4)11-2/h4H,3H2,1-2H3,(H,7,8)/t4-/m1/s1.
What are the key properties of methyl (5R)-2-methylsulfanyl-4,5-dihydro-1H-imidazole-5-carboxylate?
methyl (5R)-2-methylsulfanyl-4,5-dihydro-1H-imidazole-5-carboxylate has a molecular weight of 174.22 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-2-methylsulfanyl-4,5-dihydro-1H-imidazole-5-carboxylate is sourced from PubChem (CID 91570585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).