(1-methyl-6-oxopyridazin-4-yl) thiohypochlorite

C5H5ClN2OS — CID 172614352

IUPAC(1-methyl-6-oxopyridazin-4-yl) thiohypochlorite
SMILESCn1ncc(SCl)cc1=O
InChIInChI=1S/C5H5ClN2OS/c1-8-5(9)2-4(10-6)3-7-8/h2-3H,1H3
InChIKeyRPMYVMVVGSXSJM-UHFFFAOYSA-N
MW176.63 g/mol
LogP1.03
Rot. Bonds1

About (1-methyl-6-oxopyridazin-4-yl) thiohypochlorite

(1-methyl-6-oxopyridazin-4-yl) thiohypochlorite (PubChem CID 172614352) has the molecular formula C5H5ClN2OS and a molecular weight of 176.63 g/mol. Its IUPAC name is (1-methyl-6-oxopyridazin-4-yl) thiohypochlorite.

Molecular Properties

Compound Name(1-methyl-6-oxopyridazin-4-yl) thiohypochlorite
PubChem CID172614352
Molecular FormulaC5H5ClN2OS
Molecular Weight176.63 g/mol
Exact Mass175.98
IUPAC Name(1-methyl-6-oxopyridazin-4-yl) thiohypochlorite
SMILESCn1ncc(SCl)cc1=O
InChIInChI=1S/C5H5ClN2OS/c1-8-5(9)2-4(10-6)3-7-8/h2-3H,1H3
InChIKeyRPMYVMVVGSXSJM-UHFFFAOYSA-N
XLogP1.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.63
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methylpyridazin-3(2H)-one
CID 12200169
5-Iodo-2-methyl-2,3-dihydropyridazin-3-one
CID 11230092
5-Chloro-2-methylpyridazin-3(2H)-one
CID 12910144
6-Chloro-2-methyl-5-sulfanylpyridazin-3-one
CID 20526148
2-Methylpyridazin-3-one;hydrochloride
CID 23018228
5-chloro-2-ethylpyridazin-3(2H)-one
CID 66864934
2-Methyl-5-trimethylstannylpyridazin-3-one
CID 140856352
2-(Trideuteriomethyl)pyridazin-3-one
CID 142526014
2-Chloro-5-sulfanylpyridazin-3-one
CID 142771030
2-Methyl-5-methylsulfanylpyridazin-3-one
CID 155091789
2-Ethyl-5-sulfanylpyridazin-3-one
CID 167137932
(2-Methyl-3-oxopyridazin-4-yl) thiohypochlorite
CID 172614282

Frequently Asked Questions

What is the IUPAC name of (1-methyl-6-oxopyridazin-4-yl) thiohypochlorite?
The IUPAC name of (1-methyl-6-oxopyridazin-4-yl) thiohypochlorite (CID 172614352) is (1-methyl-6-oxopyridazin-4-yl) thiohypochlorite.
What is the SMILES notation for (1-methyl-6-oxopyridazin-4-yl) thiohypochlorite?
The canonical SMILES for (1-methyl-6-oxopyridazin-4-yl) thiohypochlorite is Cn1ncc(SCl)cc1=O.
What is the InChIKey of (1-methyl-6-oxopyridazin-4-yl) thiohypochlorite?
The InChIKey is RPMYVMVVGSXSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2OS/c1-8-5(9)2-4(10-6)3-7-8/h2-3H,1H3.
What are the key properties of (1-methyl-6-oxopyridazin-4-yl) thiohypochlorite?
(1-methyl-6-oxopyridazin-4-yl) thiohypochlorite has a molecular weight of 176.63 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-6-oxopyridazin-4-yl) thiohypochlorite is sourced from PubChem (CID 172614352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).