(2-methyl-3-oxopyridazin-4-yl) thiohypochlorite

C5H5ClN2OS — CID 172614282

IUPAC(2-methyl-3-oxopyridazin-4-yl) thiohypochlorite
SMILESCn1nccc(SCl)c1=O
InChIInChI=1S/C5H5ClN2OS/c1-8-5(9)4(10-6)2-3-7-8/h2-3H,1H3
InChIKeyLSAZWPZEWOWIOT-UHFFFAOYSA-N
MW176.63 g/mol
LogP1.03
Rot. Bonds1

About (2-methyl-3-oxopyridazin-4-yl) thiohypochlorite

(2-methyl-3-oxopyridazin-4-yl) thiohypochlorite (PubChem CID 172614282) has the molecular formula C5H5ClN2OS and a molecular weight of 176.63 g/mol. Its IUPAC name is (2-methyl-3-oxopyridazin-4-yl) thiohypochlorite.

Molecular Properties

Compound Name(2-methyl-3-oxopyridazin-4-yl) thiohypochlorite
PubChem CID172614282
Molecular FormulaC5H5ClN2OS
Molecular Weight176.63 g/mol
Exact Mass175.98
IUPAC Name(2-methyl-3-oxopyridazin-4-yl) thiohypochlorite
SMILESCn1nccc(SCl)c1=O
InChIInChI=1S/C5H5ClN2OS/c1-8-5(9)4(10-6)2-3-7-8/h2-3H,1H3
InChIKeyLSAZWPZEWOWIOT-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
4-Chloro-2-methylpyridazin-3(2H)-one
CID 12464289
2-Methylpyridazin-3-one;dihydrochloride
CID 21991433
2-Methylpyridazin-3-one;hydrochloride
CID 23018228
Ethane;2-methylpyridazin-3-one
CID 91017747
2-Methyl-6-(trisulfanyl)pyridazin-3-one
CID 134490983
2-(Trideuteriomethyl)pyridazin-3-one
CID 142526014
2-Ethylpyridazin-3-one;hydrochloride
CID 145856738
2-Methyl-4-(trimethylstannyl)pyridazin-3(2H)-one
CID 150148449
2-Methyl-5-methylsulfanylpyridazin-3-one
CID 155091789
4-Iodo-2-methylpyridazin-3-one
CID 158228924
2-(Methylsulfanylmethyl)pyridazin-3-one
CID 163763799

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-oxopyridazin-4-yl) thiohypochlorite?
The IUPAC name of (2-methyl-3-oxopyridazin-4-yl) thiohypochlorite (CID 172614282) is (2-methyl-3-oxopyridazin-4-yl) thiohypochlorite.
What is the SMILES notation for (2-methyl-3-oxopyridazin-4-yl) thiohypochlorite?
The canonical SMILES for (2-methyl-3-oxopyridazin-4-yl) thiohypochlorite is Cn1nccc(SCl)c1=O.
What is the InChIKey of (2-methyl-3-oxopyridazin-4-yl) thiohypochlorite?
The InChIKey is LSAZWPZEWOWIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2OS/c1-8-5(9)4(10-6)2-3-7-8/h2-3H,1H3.
What are the key properties of (2-methyl-3-oxopyridazin-4-yl) thiohypochlorite?
(2-methyl-3-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 (2-methyl-3-oxopyridazin-4-yl) thiohypochlorite is sourced from PubChem (CID 172614282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).