2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine

C12H12ClN3O2S — CID 62859230

IUPAC2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(Sc2ccc(OC)cc2)n1
InChIInChI=1S/C12H12ClN3O2S/c1-3-18-11-14-10(13)15-12(16-11)19-9-6-4-8(17-2)5-7-9/h4-7H,3H2,1-2H3
InChIKeyUMBSGVWMFGESFJ-UHFFFAOYSA-N
MW297.77 g/mol
LogP3.08
Rot. Bonds5

About 2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine

2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine (PubChem CID 62859230) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine
PubChem CID62859230
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(Sc2ccc(OC)cc2)n1
InChIInChI=1S/C12H12ClN3O2S/c1-3-18-11-14-10(13)15-12(16-11)19-9-6-4-8(17-2)5-7-9/h4-7H,3H2,1-2H3
InChIKeyUMBSGVWMFGESFJ-UHFFFAOYSA-N
XLogP3.08
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-ethoxy-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine
CID 58039547
2-chloro-4-ethoxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazine
CID 65043148
4-(4-chlorophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80887574
2-chloro-4-(2,5-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine
CID 62859394
2-chloro-4-(2,5-dimethylphenyl)sulfanyl-6-ethoxy-1,3,5-triazine
CID 62859234
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
2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine
CID 62859372
4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80885176
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62859238
4-ethoxy-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870272
4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine
CID 61280001

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine (CID 62859230) is 2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine is CCOc1nc(Cl)nc(Sc2ccc(OC)cc2)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine?
The InChIKey is UMBSGVWMFGESFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-3-18-11-14-10(13)15-12(16-11)19-9-6-4-8(17-2)5-7-9/h4-7H,3H2,1-2H3.
What are the key properties of 2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine?
2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine has a molecular weight of 297.77 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine is sourced from PubChem (CID 62859230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).