2-chloro-4-methoxy-6-phenylsulfanyl-1,3,5-triazine

C10H8ClN3OS — CID 19010695

IUPAC2-chloro-4-methoxy-6-phenylsulfanyl-1,3,5-triazine
SMILESCOc1nc(Cl)nc(Sc2ccccc2)n1
InChIInChI=1S/C10H8ClN3OS/c1-15-9-12-8(11)13-10(14-9)16-7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyXGEBPDMCXGTNOR-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.68
Rot. Bonds3

About 2-chloro-4-methoxy-6-phenylsulfanyl-1,3,5-triazine

2-chloro-4-methoxy-6-phenylsulfanyl-1,3,5-triazine (PubChem CID 19010695) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-phenylsulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-phenylsulfanyl-1,3,5-triazine
PubChem CID19010695
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC Name2-chloro-4-methoxy-6-phenylsulfanyl-1,3,5-triazine
SMILESCOc1nc(Cl)nc(Sc2ccccc2)n1
InChIInChI=1S/C10H8ClN3OS/c1-15-9-12-8(11)13-10(14-9)16-7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyXGEBPDMCXGTNOR-UHFFFAOYSA-N
XLogP2.68
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Triazine, 2-chloro-4,6-bis(phenylthio)-
CID 555884
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-Chloro-4-(4-fluorophenyl)sulfanyl-6-propoxy-1,3,5-triazine
CID 55125570

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-phenylsulfanyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-phenylsulfanyl-1,3,5-triazine (CID 19010695) is 2-chloro-4-methoxy-6-phenylsulfanyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-phenylsulfanyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-phenylsulfanyl-1,3,5-triazine is COc1nc(Cl)nc(Sc2ccccc2)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-phenylsulfanyl-1,3,5-triazine?
The InChIKey is XGEBPDMCXGTNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c1-15-9-12-8(11)13-10(14-9)16-7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 2-chloro-4-methoxy-6-phenylsulfanyl-1,3,5-triazine?
2-chloro-4-methoxy-6-phenylsulfanyl-1,3,5-triazine has a molecular weight of 253.71 g/mol, XLogP of 2.68, 3 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-phenylsulfanyl-1,3,5-triazine is sourced from PubChem (CID 19010695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).