(2-methylimidazol-1-yl) thiohypochlorite

C4H5ClN2S — CID 138660924

IUPAC(2-methylimidazol-1-yl) thiohypochlorite
SMILESCc1nccn1SCl
InChIInChI=1S/C4H5ClN2S/c1-4-6-2-3-7(4)8-5/h2-3H,1H3
InChIKeyQWXFSHBKOLGSHK-UHFFFAOYSA-N
MW148.62 g/mol
LogP1.84
Rot. Bonds1

About (2-methylimidazol-1-yl) thiohypochlorite

(2-methylimidazol-1-yl) thiohypochlorite (PubChem CID 138660924) has the molecular formula C4H5ClN2S and a molecular weight of 148.62 g/mol. Its IUPAC name is (2-methylimidazol-1-yl) thiohypochlorite.

Molecular Properties

Compound Name(2-methylimidazol-1-yl) thiohypochlorite
PubChem CID138660924
Molecular FormulaC4H5ClN2S
Molecular Weight148.62 g/mol
Exact Mass147.99
IUPAC Name(2-methylimidazol-1-yl) thiohypochlorite
SMILESCc1nccn1SCl
InChIInChI=1S/C4H5ClN2S/c1-4-6-2-3-7(4)8-5/h2-3H,1H3
InChIKeyQWXFSHBKOLGSHK-UHFFFAOYSA-N
XLogP1.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.62
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-methylimidazol-1-yl) thiohypochlorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-2-methylimidazole
CID 102183392
CID 88627468
CID 88627468
ethane;1-hydroxy-2-methylimidazole
CID 143552459
1,2-dimethylimidazole;trifluoroborane
CID 171040969
alumane;1-ethyl-2-methylimidazole;dihydrochloride
CID 173131459
N,N,2-trimethylimidazole-1-sulfinamide
CID 138717935
N-(4-chlorophenyl)-N,2-dimethylimidazole-1-sulfonamide
CID 86079936
tris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium
CID 173068105
1-benzyl-2-methylimidazole
CID 158634472
1-ethyl-2-methylimidazole;sulfuric acid
CID 174953824
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
5-methyl-2-(2-methylimidazol-1-yl)pyrimidine
CID 63811500

Frequently Asked Questions

What is the IUPAC name of (2-methylimidazol-1-yl) thiohypochlorite?
The IUPAC name of (2-methylimidazol-1-yl) thiohypochlorite (CID 138660924) is (2-methylimidazol-1-yl) thiohypochlorite.
What is the SMILES notation for (2-methylimidazol-1-yl) thiohypochlorite?
The canonical SMILES for (2-methylimidazol-1-yl) thiohypochlorite is Cc1nccn1SCl.
What is the InChIKey of (2-methylimidazol-1-yl) thiohypochlorite?
The InChIKey is QWXFSHBKOLGSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2S/c1-4-6-2-3-7(4)8-5/h2-3H,1H3.
What are the key properties of (2-methylimidazol-1-yl) thiohypochlorite?
(2-methylimidazol-1-yl) thiohypochlorite has a molecular weight of 148.62 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylimidazol-1-yl) thiohypochlorite is sourced from PubChem (CID 138660924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).