3-chloro-5-(2-methyl-6-prop-2-enylphenoxy)-1,2,6-thiadiazin-4-one

C13H11ClN2O2S — CID 134104535

IUPAC3-chloro-5-(2-methyl-6-prop-2-enylphenoxy)-1,2,6-thiadiazin-4-one
SMILESC=CCc1cccc(C)c1Oc1nsnc(Cl)c1=O
InChIInChI=1S/C13H11ClN2O2S/c1-3-5-9-7-4-6-8(2)11(9)18-13-10(17)12(14)15-19-16-13/h3-4,6-7H,1,5H2,2H3
InChIKeyMUDKZBMXTDSKMZ-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.38
Rot. Bonds4

About 3-chloro-5-(2-methyl-6-prop-2-enylphenoxy)-1,2,6-thiadiazin-4-one

3-chloro-5-(2-methyl-6-prop-2-enylphenoxy)-1,2,6-thiadiazin-4-one (PubChem CID 134104535) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is 3-chloro-5-(2-methyl-6-prop-2-enylphenoxy)-1,2,6-thiadiazin-4-one.

Molecular Properties

Compound Name3-chloro-5-(2-methyl-6-prop-2-enylphenoxy)-1,2,6-thiadiazin-4-one
PubChem CID134104535
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC Name3-chloro-5-(2-methyl-6-prop-2-enylphenoxy)-1,2,6-thiadiazin-4-one
SMILESC=CCc1cccc(C)c1Oc1nsnc(Cl)c1=O
InChIInChI=1S/C13H11ClN2O2S/c1-3-5-9-7-4-6-8(2)11(9)18-13-10(17)12(14)15-19-16-13/h3-4,6-7H,1,5H2,2H3
InChIKeyMUDKZBMXTDSKMZ-UHFFFAOYSA-N
XLogP3.38
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-(2-methyl-6-prop-2-enylphenoxy)silane
CID 19737589
2-methoxy-1-methyl-3-prop-2-enylbenzene;propane
CID 143927425
1-methyl-2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzene
CID 101178102
1,2-dimethyl-3-prop-2-enylbenzene;hydrochloride
CID 175387525
[2-(2-methylphenoxy)-6-prop-2-enylphenyl] acetate
CID 13066658
methane;1-methyl-2-prop-2-enylbenzene
CID 174365033
1-methyl-2-prop-2-enylbenzene;sulfane
CID 174918280
formaldehyde;1-prop-2-enylnaphthalene
CID 69326534
3,4-dimethyl-5-prop-2-enylxanthen-9-one
CID 59287844
[2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate
CID 518063
1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
CID 59551586
2-butyl-1-methyl-3-prop-2-enylbenzene
CID 173148760

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-methyl-6-prop-2-enylphenoxy)-1,2,6-thiadiazin-4-one?
The IUPAC name of 3-chloro-5-(2-methyl-6-prop-2-enylphenoxy)-1,2,6-thiadiazin-4-one (CID 134104535) is 3-chloro-5-(2-methyl-6-prop-2-enylphenoxy)-1,2,6-thiadiazin-4-one.
What is the SMILES notation for 3-chloro-5-(2-methyl-6-prop-2-enylphenoxy)-1,2,6-thiadiazin-4-one?
The canonical SMILES for 3-chloro-5-(2-methyl-6-prop-2-enylphenoxy)-1,2,6-thiadiazin-4-one is C=CCc1cccc(C)c1Oc1nsnc(Cl)c1=O.
What is the InChIKey of 3-chloro-5-(2-methyl-6-prop-2-enylphenoxy)-1,2,6-thiadiazin-4-one?
The InChIKey is MUDKZBMXTDSKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c1-3-5-9-7-4-6-8(2)11(9)18-13-10(17)12(14)15-19-16-13/h3-4,6-7H,1,5H2,2H3.
What are the key properties of 3-chloro-5-(2-methyl-6-prop-2-enylphenoxy)-1,2,6-thiadiazin-4-one?
3-chloro-5-(2-methyl-6-prop-2-enylphenoxy)-1,2,6-thiadiazin-4-one has a molecular weight of 294.76 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-methyl-6-prop-2-enylphenoxy)-1,2,6-thiadiazin-4-one is sourced from PubChem (CID 134104535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).