2-hydroxy-4-methylsulfanyl-5-nitroso-1H-pyrrole-3-carbonitrile

C6H5N3O2S — CID 135443707

IUPAC2-hydroxy-4-methylsulfanyl-5-nitroso-1H-pyrrole-3-carbonitrile
SMILESCSc1c(N=O)[nH]c(O)c1C#N
InChIInChI=1S/C6H5N3O2S/c1-12-4-3(2-7)6(10)8-5(4)9-11/h8,10H,1H3
InChIKeyJARZPEZBXPHSKH-UHFFFAOYSA-N
MW183.19 g/mol
LogP1.71
Rot. Bonds2

About 2-hydroxy-4-methylsulfanyl-5-nitroso-1H-pyrrole-3-carbonitrile

2-hydroxy-4-methylsulfanyl-5-nitroso-1H-pyrrole-3-carbonitrile (PubChem CID 135443707) has the molecular formula C6H5N3O2S and a molecular weight of 183.19 g/mol. Its IUPAC name is 2-hydroxy-4-methylsulfanyl-5-nitroso-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-4-methylsulfanyl-5-nitroso-1H-pyrrole-3-carbonitrile
PubChem CID135443707
Molecular FormulaC6H5N3O2S
Molecular Weight183.19 g/mol
Exact Mass183.01
IUPAC Name2-hydroxy-4-methylsulfanyl-5-nitroso-1H-pyrrole-3-carbonitrile
SMILESCSc1c(N=O)[nH]c(O)c1C#N
InChIInChI=1S/C6H5N3O2S/c1-12-4-3(2-7)6(10)8-5(4)9-11/h8,10H,1H3
InChIKeyJARZPEZBXPHSKH-UHFFFAOYSA-N
XLogP1.71
TPSA89.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 11679891
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
CID 159463245
5-bromo-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 70833654
2-isocyanato-4,5-dimethyl-1H-pyrrole-3-carbonitrile
CID 142662027
2-hydroxy-6-oxo-1H-pyridine-3,4-dicarbonitrile
CID 121227406
1-amino-4,6-dimethyl-5-methylsulfanyl-2-oxopyridine-3-carbonitrile
CID 4962307
2-hydroxy-6-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile
CID 72711414
2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile
CID 116862156
4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862206
N-(2,4-diamino-3,5-dicyano-6-methylsulfanylphenyl)acetamide
CID 13442617
4-methyl-2-methylsulfanyl-6-oxo-1H-pyridine-3-carbonitrile
CID 2726104
4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862217

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methylsulfanyl-5-nitroso-1H-pyrrole-3-carbonitrile?
The IUPAC name of 2-hydroxy-4-methylsulfanyl-5-nitroso-1H-pyrrole-3-carbonitrile (CID 135443707) is 2-hydroxy-4-methylsulfanyl-5-nitroso-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-4-methylsulfanyl-5-nitroso-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 2-hydroxy-4-methylsulfanyl-5-nitroso-1H-pyrrole-3-carbonitrile is CSc1c(N=O)[nH]c(O)c1C#N.
What is the InChIKey of 2-hydroxy-4-methylsulfanyl-5-nitroso-1H-pyrrole-3-carbonitrile?
The InChIKey is JARZPEZBXPHSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2S/c1-12-4-3(2-7)6(10)8-5(4)9-11/h8,10H,1H3.
What are the key properties of 2-hydroxy-4-methylsulfanyl-5-nitroso-1H-pyrrole-3-carbonitrile?
2-hydroxy-4-methylsulfanyl-5-nitroso-1H-pyrrole-3-carbonitrile has a molecular weight of 183.19 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methylsulfanyl-5-nitroso-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 135443707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).