1-(2-methyl-2-methylsulfanyl-1-nitrosopropyl)imidazole

C8H13N3OS — CID 54514098

IUPAC1-(2-methyl-2-methylsulfanyl-1-nitrosopropyl)imidazole
SMILESCSC(C)(C)C(N=O)n1ccnc1
InChIInChI=1S/C8H13N3OS/c1-8(2,13-3)7(10-12)11-5-4-9-6-11/h4-7H,1-3H3
InChIKeyYLENGNFFYQAFPB-UHFFFAOYSA-N
MW199.28 g/mol
LogP2.29
Rot. Bonds4

About 1-(2-methyl-2-methylsulfanyl-1-nitrosopropyl)imidazole

1-(2-methyl-2-methylsulfanyl-1-nitrosopropyl)imidazole (PubChem CID 54514098) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-(2-methyl-2-methylsulfanyl-1-nitrosopropyl)imidazole.

Molecular Properties

Compound Name1-(2-methyl-2-methylsulfanyl-1-nitrosopropyl)imidazole
PubChem CID54514098
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name1-(2-methyl-2-methylsulfanyl-1-nitrosopropyl)imidazole
SMILESCSC(C)(C)C(N=O)n1ccnc1
InChIInChI=1S/C8H13N3OS/c1-8(2,13-3)7(10-12)11-5-4-9-6-11/h4-7H,1-3H3
InChIKeyYLENGNFFYQAFPB-UHFFFAOYSA-N
XLogP2.29
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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ethane;methane;1-propan-2-ylimidazole
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CID 16788764
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CID 174552130
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-methylsulfanyl-1-nitrosopropyl)imidazole?
The IUPAC name of 1-(2-methyl-2-methylsulfanyl-1-nitrosopropyl)imidazole (CID 54514098) is 1-(2-methyl-2-methylsulfanyl-1-nitrosopropyl)imidazole.
What is the SMILES notation for 1-(2-methyl-2-methylsulfanyl-1-nitrosopropyl)imidazole?
The canonical SMILES for 1-(2-methyl-2-methylsulfanyl-1-nitrosopropyl)imidazole is CSC(C)(C)C(N=O)n1ccnc1.
What is the InChIKey of 1-(2-methyl-2-methylsulfanyl-1-nitrosopropyl)imidazole?
The InChIKey is YLENGNFFYQAFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-8(2,13-3)7(10-12)11-5-4-9-6-11/h4-7H,1-3H3.
What are the key properties of 1-(2-methyl-2-methylsulfanyl-1-nitrosopropyl)imidazole?
1-(2-methyl-2-methylsulfanyl-1-nitrosopropyl)imidazole has a molecular weight of 199.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-methylsulfanyl-1-nitrosopropyl)imidazole is sourced from PubChem (CID 54514098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).