(5-formyl-2-methyl-1,2-dihydroimidazol-3-yl) thiohypofluorite

C5H7FN2OS — CID 168982735

IUPAC(5-formyl-2-methyl-1,2-dihydroimidazol-3-yl) thiohypofluorite
SMILESCC1NC(C=O)=CN1SF
InChIInChI=1S/C5H7FN2OS/c1-4-7-5(3-9)2-8(4)10-6/h2-4,7H,1H3
InChIKeyXGVYXXBBGNYHAV-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.81
Rot. Bonds2

About (5-formyl-2-methyl-1,2-dihydroimidazol-3-yl) thiohypofluorite

(5-formyl-2-methyl-1,2-dihydroimidazol-3-yl) thiohypofluorite (PubChem CID 168982735) has the molecular formula C5H7FN2OS and a molecular weight of 162.19 g/mol. Its IUPAC name is (5-formyl-2-methyl-1,2-dihydroimidazol-3-yl) thiohypofluorite.

Molecular Properties

Compound Name(5-formyl-2-methyl-1,2-dihydroimidazol-3-yl) thiohypofluorite
PubChem CID168982735
Molecular FormulaC5H7FN2OS
Molecular Weight162.19 g/mol
Exact Mass162.03
IUPAC Name(5-formyl-2-methyl-1,2-dihydroimidazol-3-yl) thiohypofluorite
SMILESCC1NC(C=O)=CN1SF
InChIInChI=1S/C5H7FN2OS/c1-4-7-5(3-9)2-8(4)10-6/h2-4,7H,1H3
InChIKeyXGVYXXBBGNYHAV-UHFFFAOYSA-N
XLogP0.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dimethyl-1,2-dihydroimidazole-5-carbaldehyde
CID 88240919
2,2-Dimethyl-1,3-dihydroimidazole-4-carbaldehyde
CID 88970928
2-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 88971063
4-formyl-N,N-dimethyl-1,2-dihydroimidazole-3-sulfonamide
CID 90091957
2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 139752034
(4-Formyl-1,2-dihydroimidazol-3-yl)thallium
CID 142119212
3-Methyl-1,2-dihydroimidazole-4-carbaldehyde
CID 143200931
(5-Formyl-1,2-dihydroimidazol-3-yl)thallium
CID 149316104
3-Chloro-1,2-dihydroimidazole-5-carbaldehyde
CID 174733220
2-amino-2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 86341028

Frequently Asked Questions

What is the IUPAC name of (5-formyl-2-methyl-1,2-dihydroimidazol-3-yl) thiohypofluorite?
The IUPAC name of (5-formyl-2-methyl-1,2-dihydroimidazol-3-yl) thiohypofluorite (CID 168982735) is (5-formyl-2-methyl-1,2-dihydroimidazol-3-yl) thiohypofluorite.
What is the SMILES notation for (5-formyl-2-methyl-1,2-dihydroimidazol-3-yl) thiohypofluorite?
The canonical SMILES for (5-formyl-2-methyl-1,2-dihydroimidazol-3-yl) thiohypofluorite is CC1NC(C=O)=CN1SF.
What is the InChIKey of (5-formyl-2-methyl-1,2-dihydroimidazol-3-yl) thiohypofluorite?
The InChIKey is XGVYXXBBGNYHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2OS/c1-4-7-5(3-9)2-8(4)10-6/h2-4,7H,1H3.
What are the key properties of (5-formyl-2-methyl-1,2-dihydroimidazol-3-yl) thiohypofluorite?
(5-formyl-2-methyl-1,2-dihydroimidazol-3-yl) thiohypofluorite has a molecular weight of 162.19 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-formyl-2-methyl-1,2-dihydroimidazol-3-yl) thiohypofluorite is sourced from PubChem (CID 168982735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).