3-phenylmethoxy-1H-imidazole-2-thione

C10H10N2OS — CID 14244929

IUPAC3-phenylmethoxy-1H-imidazole-2-thione
SMILESS=c1[nH]ccn1OCc1ccccc1
InChIInChI=1S/C10H10N2OS/c14-10-11-6-7-12(10)13-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,14)
InChIKeyDKHBFOYMEJABGA-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.17
Rot. Bonds3

About 3-phenylmethoxy-1H-imidazole-2-thione

3-phenylmethoxy-1H-imidazole-2-thione (PubChem CID 14244929) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-phenylmethoxy-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-phenylmethoxy-1H-imidazole-2-thione
PubChem CID14244929
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name3-phenylmethoxy-1H-imidazole-2-thione
SMILESS=c1[nH]ccn1OCc1ccccc1
InChIInChI=1S/C10H10N2OS/c14-10-11-6-7-12(10)13-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,14)
InChIKeyDKHBFOYMEJABGA-UHFFFAOYSA-N
XLogP2.17
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-1H-imidazole-2-thione?
The IUPAC name of 3-phenylmethoxy-1H-imidazole-2-thione (CID 14244929) is 3-phenylmethoxy-1H-imidazole-2-thione.
What is the SMILES notation for 3-phenylmethoxy-1H-imidazole-2-thione?
The canonical SMILES for 3-phenylmethoxy-1H-imidazole-2-thione is S=c1[nH]ccn1OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxy-1H-imidazole-2-thione?
The InChIKey is DKHBFOYMEJABGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c14-10-11-6-7-12(10)13-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,14).
What are the key properties of 3-phenylmethoxy-1H-imidazole-2-thione?
3-phenylmethoxy-1H-imidazole-2-thione has a molecular weight of 206.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-1H-imidazole-2-thione is sourced from PubChem (CID 14244929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).