3-chloro-5-(4-chloro-2-methylphenoxy)-1,2,6-thiadiazin-4-one

C10H6Cl2N2O2S — CID 57093883

IUPAC3-chloro-5-(4-chloro-2-methylphenoxy)-1,2,6-thiadiazin-4-one
SMILESCc1cc(Cl)ccc1Oc1nsnc(Cl)c1=O
InChIInChI=1S/C10H6Cl2N2O2S/c1-5-4-6(11)2-3-7(5)16-10-8(15)9(12)13-17-14-10/h2-4H,1H3
InChIKeyKSBCOQDLXPJANK-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.31
Rot. Bonds2

About 3-chloro-5-(4-chloro-2-methylphenoxy)-1,2,6-thiadiazin-4-one

3-chloro-5-(4-chloro-2-methylphenoxy)-1,2,6-thiadiazin-4-one (PubChem CID 57093883) has the molecular formula C10H6Cl2N2O2S and a molecular weight of 289.14 g/mol. Its IUPAC name is 3-chloro-5-(4-chloro-2-methylphenoxy)-1,2,6-thiadiazin-4-one.

Molecular Properties

Compound Name3-chloro-5-(4-chloro-2-methylphenoxy)-1,2,6-thiadiazin-4-one
PubChem CID57093883
Molecular FormulaC10H6Cl2N2O2S
Molecular Weight289.14 g/mol
Exact Mass287.95
IUPAC Name3-chloro-5-(4-chloro-2-methylphenoxy)-1,2,6-thiadiazin-4-one
SMILESCc1cc(Cl)ccc1Oc1nsnc(Cl)c1=O
InChIInChI=1S/C10H6Cl2N2O2S/c1-5-4-6(11)2-3-7(5)16-10-8(15)9(12)13-17-14-10/h2-4H,1H3
InChIKeyKSBCOQDLXPJANK-UHFFFAOYSA-N
XLogP3.31
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-(2,4-dimethylphenoxy)-1,2,6-thiadiazin-4-one
CID 57159960
3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole
CID 60726072
3-chloro-5-(2,6-dichloro-4-methylphenoxy)-1,2,6-thiadiazin-4-one
CID 134104508
3-chloro-4-(2,5-dichlorophenoxy)-1,2,5-thiadiazole
CID 60726221
5-chloro-4-(4-chloro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 114676044
4-chloro-6-(4-chloro-2-methylphenoxy)-2-ethylpyrimidine
CID 80944599
4-chloro-2-methyl-1-(2-methylphenoxy)benzene
CID 62706685
3-chloro-4-(2,4-difluorophenoxy)-1,2,5-thiadiazole
CID 61038458
3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine
CID 114837551
4-chloro-5-(chloromethyl)-2-(4-chloro-2-methylphenoxy)-1,3-thiazole
CID 80687597
3-(5-bromo-2-fluorophenoxy)-4-chloro-1,2,5-thiadiazole
CID 114672242
3-chloro-4-(2-chloro-5-methylphenoxy)-1,2,5-thiadiazole
CID 60726066

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-chloro-2-methylphenoxy)-1,2,6-thiadiazin-4-one?
The IUPAC name of 3-chloro-5-(4-chloro-2-methylphenoxy)-1,2,6-thiadiazin-4-one (CID 57093883) is 3-chloro-5-(4-chloro-2-methylphenoxy)-1,2,6-thiadiazin-4-one.
What is the SMILES notation for 3-chloro-5-(4-chloro-2-methylphenoxy)-1,2,6-thiadiazin-4-one?
The canonical SMILES for 3-chloro-5-(4-chloro-2-methylphenoxy)-1,2,6-thiadiazin-4-one is Cc1cc(Cl)ccc1Oc1nsnc(Cl)c1=O.
What is the InChIKey of 3-chloro-5-(4-chloro-2-methylphenoxy)-1,2,6-thiadiazin-4-one?
The InChIKey is KSBCOQDLXPJANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2S/c1-5-4-6(11)2-3-7(5)16-10-8(15)9(12)13-17-14-10/h2-4H,1H3.
What are the key properties of 3-chloro-5-(4-chloro-2-methylphenoxy)-1,2,6-thiadiazin-4-one?
3-chloro-5-(4-chloro-2-methylphenoxy)-1,2,6-thiadiazin-4-one has a molecular weight of 289.14 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-chloro-2-methylphenoxy)-1,2,6-thiadiazin-4-one is sourced from PubChem (CID 57093883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).