2,4-dichloro-6-[4-(4-phenylmethoxyphenyl)sulfanylphenoxy]-1,3,5-triazine

C22H15Cl2N3O2S — CID 54075621

IUPAC2,4-dichloro-6-[4-(4-phenylmethoxyphenyl)sulfanylphenoxy]-1,3,5-triazine
SMILESClc1nc(Cl)nc(Oc2ccc(Sc3ccc(OCc4ccccc4)cc3)cc2)n1
InChIInChI=1S/C22H15Cl2N3O2S/c23-20-25-21(24)27-22(26-20)29-17-8-12-19(13-9-17)30-18-10-6-16(7-11-18)28-14-15-4-2-1-3-5-15/h1-13H,14H2
InChIKeyMJLOFEDAFWFTNV-UHFFFAOYSA-N
MW456.35 g/mol
LogP6.70
Rot. Bonds7

About 2,4-dichloro-6-[4-(4-phenylmethoxyphenyl)sulfanylphenoxy]-1,3,5-triazine

2,4-dichloro-6-[4-(4-phenylmethoxyphenyl)sulfanylphenoxy]-1,3,5-triazine (PubChem CID 54075621) has the molecular formula C22H15Cl2N3O2S and a molecular weight of 456.35 g/mol. Its IUPAC name is 2,4-dichloro-6-[4-(4-phenylmethoxyphenyl)sulfanylphenoxy]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-[4-(4-phenylmethoxyphenyl)sulfanylphenoxy]-1,3,5-triazine
PubChem CID54075621
Molecular FormulaC22H15Cl2N3O2S
Molecular Weight456.35 g/mol
Exact Mass455.03
IUPAC Name2,4-dichloro-6-[4-(4-phenylmethoxyphenyl)sulfanylphenoxy]-1,3,5-triazine
SMILESClc1nc(Cl)nc(Oc2ccc(Sc3ccc(OCc4ccccc4)cc3)cc2)n1
InChIInChI=1S/C22H15Cl2N3O2S/c23-20-25-21(24)27-22(26-20)29-17-8-12-19(13-9-17)30-18-10-6-16(7-11-18)28-14-15-4-2-1-3-5-15/h1-13H,14H2
InChIKeyMJLOFEDAFWFTNV-UHFFFAOYSA-N
XLogP6.70
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.35
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-bis(4-benzylphenoxy)-6-chloro-1,3,5-triazine
CID 21413010
2,4-dichloro-6-phenoxy-1,3,5-triazine;ethane
CID 91071262
N-benzyl-2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenyl]sulfanylacetamide
CID 101272246
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 58974961
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270
6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile
CID 22662788
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine
CID 22496155
2-chloro-6-phenylmethoxynaphthalene
CID 125116795

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[4-(4-phenylmethoxyphenyl)sulfanylphenoxy]-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-[4-(4-phenylmethoxyphenyl)sulfanylphenoxy]-1,3,5-triazine (CID 54075621) is 2,4-dichloro-6-[4-(4-phenylmethoxyphenyl)sulfanylphenoxy]-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-[4-(4-phenylmethoxyphenyl)sulfanylphenoxy]-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-[4-(4-phenylmethoxyphenyl)sulfanylphenoxy]-1,3,5-triazine is Clc1nc(Cl)nc(Oc2ccc(Sc3ccc(OCc4ccccc4)cc3)cc2)n1.
What is the InChIKey of 2,4-dichloro-6-[4-(4-phenylmethoxyphenyl)sulfanylphenoxy]-1,3,5-triazine?
The InChIKey is MJLOFEDAFWFTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O2S/c23-20-25-21(24)27-22(26-20)29-17-8-12-19(13-9-17)30-18-10-6-16(7-11-18)28-14-15-4-2-1-3-5-15/h1-13H,14H2.
What are the key properties of 2,4-dichloro-6-[4-(4-phenylmethoxyphenyl)sulfanylphenoxy]-1,3,5-triazine?
2,4-dichloro-6-[4-(4-phenylmethoxyphenyl)sulfanylphenoxy]-1,3,5-triazine has a molecular weight of 456.35 g/mol, XLogP of 6.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[4-(4-phenylmethoxyphenyl)sulfanylphenoxy]-1,3,5-triazine is sourced from PubChem (CID 54075621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).