2-chloro-4-methoxy-6-(4-phenylsulfanylphenyl)-1,3,5-triazine

C16H12ClN3OS — CID 176887965

IUPAC2-chloro-4-methoxy-6-(4-phenylsulfanylphenyl)-1,3,5-triazine
SMILESCOc1nc(Cl)nc(-c2ccc(Sc3ccccc3)cc2)n1
InChIInChI=1S/C16H12ClN3OS/c1-21-16-19-14(18-15(17)20-16)11-7-9-13(10-8-11)22-12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyNZOINQHKGVFLNJ-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.35
Rot. Bonds4

About 2-chloro-4-methoxy-6-(4-phenylsulfanylphenyl)-1,3,5-triazine

2-chloro-4-methoxy-6-(4-phenylsulfanylphenyl)-1,3,5-triazine (PubChem CID 176887965) has the molecular formula C16H12ClN3OS and a molecular weight of 329.81 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-(4-phenylsulfanylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-(4-phenylsulfanylphenyl)-1,3,5-triazine
PubChem CID176887965
Molecular FormulaC16H12ClN3OS
Molecular Weight329.81 g/mol
Exact Mass329.04
IUPAC Name2-chloro-4-methoxy-6-(4-phenylsulfanylphenyl)-1,3,5-triazine
SMILESCOc1nc(Cl)nc(-c2ccc(Sc3ccccc3)cc2)n1
InChIInChI=1S/C16H12ClN3OS/c1-21-16-19-14(18-15(17)20-16)11-7-9-13(10-8-11)22-12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyNZOINQHKGVFLNJ-UHFFFAOYSA-N
XLogP4.35
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]sulfanylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140904949
2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 22476006
methoxymethane;phenylsulfanylbenzene
CID 175087336
4-[4-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]sulfanylphenyl]phenyl]-2,6-diphenylpyrimidine
CID 140904927
2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 142751330
2-chloro-4-methoxy-6-(4-methylsulfonylphenyl)sulfanyl-1,3,5-triazine
CID 63238267
2-chloro-4-methoxy-6-(4-nitrophenyl)sulfanyl-1,3,5-triazine
CID 62858855
4-[4-(3-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]benzonitrile
CID 155530404
2,4-dichloro-6-[4-(4-phenylmethoxyphenyl)sulfanylphenoxy]-1,3,5-triazine
CID 54075621
2-chloro-4-methoxy-6-(2-methylthiophen-3-yl)-1,3,5-triazine
CID 102838231
1-phenyl-2-(4-phenylsulfanylphenyl)benzene
CID 21416504
2,4-diphenyl-6-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]sulfanylphenyl]-1,3,5-triazine
CID 155049936

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-(4-phenylsulfanylphenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-(4-phenylsulfanylphenyl)-1,3,5-triazine (CID 176887965) is 2-chloro-4-methoxy-6-(4-phenylsulfanylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-(4-phenylsulfanylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-(4-phenylsulfanylphenyl)-1,3,5-triazine is COc1nc(Cl)nc(-c2ccc(Sc3ccccc3)cc2)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-(4-phenylsulfanylphenyl)-1,3,5-triazine?
The InChIKey is NZOINQHKGVFLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS/c1-21-16-19-14(18-15(17)20-16)11-7-9-13(10-8-11)22-12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 2-chloro-4-methoxy-6-(4-phenylsulfanylphenyl)-1,3,5-triazine?
2-chloro-4-methoxy-6-(4-phenylsulfanylphenyl)-1,3,5-triazine has a molecular weight of 329.81 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-(4-phenylsulfanylphenyl)-1,3,5-triazine is sourced from PubChem (CID 176887965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).