2-(sulfanyloxymethyl)-1H-imidazole

C4H6N2OS — CID 170244271

IUPAC2-(sulfanyloxymethyl)-1H-imidazole
SMILESSOCc1ncc[nH]1
InChIInChI=1S/C4H6N2OS/c8-7-3-4-5-1-2-6-4/h1-2,8H,3H2,(H,5,6)
InChIKeyZFDGMGVTJDAFPB-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.77
Rot. Bonds2

About 2-(sulfanyloxymethyl)-1H-imidazole

2-(sulfanyloxymethyl)-1H-imidazole (PubChem CID 170244271) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is 2-(sulfanyloxymethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(sulfanyloxymethyl)-1H-imidazole
PubChem CID170244271
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Name2-(sulfanyloxymethyl)-1H-imidazole
SMILESSOCc1ncc[nH]1
InChIInChI=1S/C4H6N2OS/c8-7-3-4-5-1-2-6-4/h1-2,8H,3H2,(H,5,6)
InChIKeyZFDGMGVTJDAFPB-UHFFFAOYSA-N
XLogP0.77
TPSA37.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(1H-imidazol-2-ylmethoxy)methanimine;dihydrochloride
CID 158093289
1H-imidazol-2-ylmethyl carbamate
CID 23172617
2-(1-bromoethoxymethyl)-1H-imidazole
CID 141093842
2-(1H-imidazol-2-ylmethoxy)acetic acid
CID 19766370
2-[(2-iodophenoxy)methyl]-1H-imidazole
CID 54027628
ethane;2-ethyl-1H-imidazole
CID 144736598
hydron;1H-imidazol-2-ylmethanamine;dichloride
CID 44828734
2-(fluoromethyl)-1H-imidazole;hydrochloride
CID 70625153
bis(2-ethyl-1H-imidazole);hydrate
CID 70001211
2-ethyl-1H-imidazole;dihydroiodide
CID 175121589
1H-imidazol-2-ylmethyl (2S)-2-hydroxypropanoate
CID 129322465
1H-imidazol-2-ylmethyl 2,2-dimethylpropanoate
CID 54274629

Frequently Asked Questions

What is the IUPAC name of 2-(sulfanyloxymethyl)-1H-imidazole?
The IUPAC name of 2-(sulfanyloxymethyl)-1H-imidazole (CID 170244271) is 2-(sulfanyloxymethyl)-1H-imidazole.
What is the SMILES notation for 2-(sulfanyloxymethyl)-1H-imidazole?
The canonical SMILES for 2-(sulfanyloxymethyl)-1H-imidazole is SOCc1ncc[nH]1.
What is the InChIKey of 2-(sulfanyloxymethyl)-1H-imidazole?
The InChIKey is ZFDGMGVTJDAFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS/c8-7-3-4-5-1-2-6-4/h1-2,8H,3H2,(H,5,6).
What are the key properties of 2-(sulfanyloxymethyl)-1H-imidazole?
2-(sulfanyloxymethyl)-1H-imidazole has a molecular weight of 130.17 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfanyloxymethyl)-1H-imidazole is sourced from PubChem (CID 170244271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).