2-nitrososulfanyl-1H-imidazole

C3H3N3OS — CID 55298693

IUPAC2-nitrososulfanyl-1H-imidazole
SMILESO=NSc1ncc[nH]1
InChIInChI=1S/C3H3N3OS/c7-6-8-3-4-1-2-5-3/h1-2H,(H,4,5)
InChIKeyGZWIHSUFITYHQK-UHFFFAOYSA-N
MW129.14 g/mol
LogP1.18
Rot. Bonds2

About 2-nitrososulfanyl-1H-imidazole

2-nitrososulfanyl-1H-imidazole (PubChem CID 55298693) has the molecular formula C3H3N3OS and a molecular weight of 129.14 g/mol. Its IUPAC name is 2-nitrososulfanyl-1H-imidazole.

Molecular Properties

Compound Name2-nitrososulfanyl-1H-imidazole
PubChem CID55298693
Molecular FormulaC3H3N3OS
Molecular Weight129.14 g/mol
Exact Mass129.00
IUPAC Name2-nitrososulfanyl-1H-imidazole
SMILESO=NSc1ncc[nH]1
InChIInChI=1S/C3H3N3OS/c7-6-8-3-4-1-2-5-3/h1-2H,(H,4,5)
InChIKeyGZWIHSUFITYHQK-UHFFFAOYSA-N
XLogP1.18
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-nitrososulfanyl-1H-imidazole?
The IUPAC name of 2-nitrososulfanyl-1H-imidazole (CID 55298693) is 2-nitrososulfanyl-1H-imidazole.
What is the SMILES notation for 2-nitrososulfanyl-1H-imidazole?
The canonical SMILES for 2-nitrososulfanyl-1H-imidazole is O=NSc1ncc[nH]1.
What is the InChIKey of 2-nitrososulfanyl-1H-imidazole?
The InChIKey is GZWIHSUFITYHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3OS/c7-6-8-3-4-1-2-5-3/h1-2H,(H,4,5).
What are the key properties of 2-nitrososulfanyl-1H-imidazole?
2-nitrososulfanyl-1H-imidazole has a molecular weight of 129.14 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrososulfanyl-1H-imidazole is sourced from PubChem (CID 55298693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).