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

C12H11ClFN3OS — CID 55125570

IUPAC2-chloro-4-(4-fluorophenyl)sulfanyl-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(Sc2ccc(F)cc2)n1
InChIInChI=1S/C12H11ClFN3OS/c1-2-7-18-11-15-10(13)16-12(17-11)19-9-5-3-8(14)4-6-9/h3-6H,2,7H2,1H3
InChIKeyPKHQFJWGEMLAOT-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.60
Rot. Bonds5

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

2-chloro-4-(4-fluorophenyl)sulfanyl-6-propoxy-1,3,5-triazine (PubChem CID 55125570) has the molecular formula C12H11ClFN3OS and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-chloro-4-(4-fluorophenyl)sulfanyl-6-propoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(4-fluorophenyl)sulfanyl-6-propoxy-1,3,5-triazine
PubChem CID55125570
Molecular FormulaC12H11ClFN3OS
Molecular Weight299.76 g/mol
Exact Mass299.03
IUPAC Name2-chloro-4-(4-fluorophenyl)sulfanyl-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(Sc2ccc(F)cc2)n1
InChIInChI=1S/C12H11ClFN3OS/c1-2-7-18-11-15-10(13)16-12(17-11)19-9-5-3-8(14)4-6-9/h3-6H,2,7H2,1H3
InChIKeyPKHQFJWGEMLAOT-UHFFFAOYSA-N
XLogP3.60
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Difluoro-6-phenylsulfanyl-1,3,5-triazine
CID 12862
2-Allyloxy-4,6-bis-phenylsulfanyl-[1,3,5]triazine
CID 534327
2-Methoxy-4,6-bis(phenylsulfanyl)-1,3,5-triazine
CID 12006671
6-(4-Fluorophenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 25099569
2-Chloro-4-(2,4-difluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine
CID 55124127
2-Chloro-4-(2-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine
CID 55124174
2-Chloro-4-(2,5-difluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine
CID 55124223
2-Chloro-4-(3,4-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine
CID 55124699
4-chloro-6-(2,5-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 55125013
4-chloro-6-(2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 55125569
2,4-Dichloro-6-(3,4-difluorophenyl)sulfanyl-1,3,5-triazine
CID 60725982
2,4-Dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine
CID 60726032

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluorophenyl)sulfanyl-6-propoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(4-fluorophenyl)sulfanyl-6-propoxy-1,3,5-triazine (CID 55125570) is 2-chloro-4-(4-fluorophenyl)sulfanyl-6-propoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(4-fluorophenyl)sulfanyl-6-propoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(4-fluorophenyl)sulfanyl-6-propoxy-1,3,5-triazine is CCCOc1nc(Cl)nc(Sc2ccc(F)cc2)n1.
What is the InChIKey of 2-chloro-4-(4-fluorophenyl)sulfanyl-6-propoxy-1,3,5-triazine?
The InChIKey is PKHQFJWGEMLAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3OS/c1-2-7-18-11-15-10(13)16-12(17-11)19-9-5-3-8(14)4-6-9/h3-6H,2,7H2,1H3.
What are the key properties of 2-chloro-4-(4-fluorophenyl)sulfanyl-6-propoxy-1,3,5-triazine?
2-chloro-4-(4-fluorophenyl)sulfanyl-6-propoxy-1,3,5-triazine has a molecular weight of 299.76 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-fluorophenyl)sulfanyl-6-propoxy-1,3,5-triazine is sourced from PubChem (CID 55125570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).