2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-propoxy-1,3,5-triazine

C14H16ClN3OS — CID 63402169

IUPAC2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(Sc2ccc(C)cc2C)n1
InChIInChI=1S/C14H16ClN3OS/c1-4-7-19-13-16-12(15)17-14(18-13)20-11-6-5-9(2)8-10(11)3/h5-6,8H,4,7H2,1-3H3
InChIKeyYSAIFUMXRGPTKO-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.08
Rot. Bonds5

About 2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-propoxy-1,3,5-triazine

2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-propoxy-1,3,5-triazine (PubChem CID 63402169) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-propoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-propoxy-1,3,5-triazine
PubChem CID63402169
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(Sc2ccc(C)cc2C)n1
InChIInChI=1S/C14H16ClN3OS/c1-4-7-19-13-16-12(15)17-14(18-13)20-11-6-5-9(2)8-10(11)3/h5-6,8H,4,7H2,1-3H3
InChIKeyYSAIFUMXRGPTKO-UHFFFAOYSA-N
XLogP4.08
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine
CID 63402170
2-chloro-4-(2,5-dimethylphenyl)sulfanyl-6-ethoxy-1,3,5-triazine
CID 62859234
4-chloro-6-(2,4-dimethylphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62867894
2-chloro-4-methylsulfanyl-6-propoxy-1,3,5-triazine
CID 62865803
2-chloro-4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazine
CID 62867201
2,4-dichloro-6-(2,5-dimethylphenyl)sulfanyl-1,3,5-triazine
CID 62869932
2-(4-bromo-3,5-dimethylphenoxy)-4-chloro-6-propoxy-1,3,5-triazine
CID 107723136
2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 62867733
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol
CID 62870657
4-chloro-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62870574
2-chloro-4-(2,5-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine
CID 62859394
4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62868348

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-propoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-propoxy-1,3,5-triazine (CID 63402169) is 2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-propoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-propoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-propoxy-1,3,5-triazine is CCCOc1nc(Cl)nc(Sc2ccc(C)cc2C)n1.
What is the InChIKey of 2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-propoxy-1,3,5-triazine?
The InChIKey is YSAIFUMXRGPTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-4-7-19-13-16-12(15)17-14(18-13)20-11-6-5-9(2)8-10(11)3/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-propoxy-1,3,5-triazine?
2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-propoxy-1,3,5-triazine has a molecular weight of 309.82 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-propoxy-1,3,5-triazine is sourced from PubChem (CID 63402169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).