6-(4-chlorophenyl)-4-ethylsulfanyl-1H-1,3,5-triazin-2-one

C11H10ClN3OS — CID 2818536

IUPAC6-(4-chlorophenyl)-4-ethylsulfanyl-1H-1,3,5-triazin-2-one
SMILESCCSc1nc(-c2ccc(Cl)cc2)[nH]c(=O)n1
InChIInChI=1S/C11H10ClN3OS/c1-2-17-11-14-9(13-10(16)15-11)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H,13,14,15,16)
InChIKeyMWRBDVHZFYMSEH-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.60
Rot. Bonds3

About 6-(4-chlorophenyl)-4-ethylsulfanyl-1H-1,3,5-triazin-2-one

6-(4-chlorophenyl)-4-ethylsulfanyl-1H-1,3,5-triazin-2-one (PubChem CID 2818536) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-ethylsulfanyl-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-ethylsulfanyl-1H-1,3,5-triazin-2-one
PubChem CID2818536
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name6-(4-chlorophenyl)-4-ethylsulfanyl-1H-1,3,5-triazin-2-one
SMILESCCSc1nc(-c2ccc(Cl)cc2)[nH]c(=O)n1
InChIInChI=1S/C11H10ClN3OS/c1-2-17-11-14-9(13-10(16)15-11)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H,13,14,15,16)
InChIKeyMWRBDVHZFYMSEH-UHFFFAOYSA-N
XLogP2.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-Chlorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol
CID 2818535
4-[(2-Chloro-6-fluorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol
CID 2818540
4-[(2-Chloro-6-fluorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-ol
CID 2818534
4-(4-Chlorophenyl)-6-thioxo-1,2,5,6-tetrahydro-1,3,5-triazin-2-one
CID 2818532
4-Methylsulfanyl-6-phenyl-1,3,5-triazin-2-ol
CID 15961
AC1L1U23
CID 135472997
4-[(2-Chlorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-ol
CID 2818527
6-(4-chlorophenyl)-4-methylsulfanyl-1H-1,3,5-triazin-2-one
CID 2818533
6-(4-chlorophenyl)-4-(dimethylamino)-1H-1,3,5-triazin-2-one
CID 135419047
2-(4-Chlorophenyl)-4-(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile
CID 13154295
6-(4-methylphenyl)-4-methylsulfanyl-1H-1,3,5-triazin-2-one
CID 15268754
6-(4-chlorophenyl)-4-[(2,6-dichlorophenyl)methylsulfanyl]-1H-1,3,5-triazin-2-one
CID 2818528

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-ethylsulfanyl-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(4-chlorophenyl)-4-ethylsulfanyl-1H-1,3,5-triazin-2-one (CID 2818536) is 6-(4-chlorophenyl)-4-ethylsulfanyl-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(4-chlorophenyl)-4-ethylsulfanyl-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(4-chlorophenyl)-4-ethylsulfanyl-1H-1,3,5-triazin-2-one is CCSc1nc(-c2ccc(Cl)cc2)[nH]c(=O)n1.
What is the InChIKey of 6-(4-chlorophenyl)-4-ethylsulfanyl-1H-1,3,5-triazin-2-one?
The InChIKey is MWRBDVHZFYMSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-2-17-11-14-9(13-10(16)15-11)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H,13,14,15,16).
What are the key properties of 6-(4-chlorophenyl)-4-ethylsulfanyl-1H-1,3,5-triazin-2-one?
6-(4-chlorophenyl)-4-ethylsulfanyl-1H-1,3,5-triazin-2-one has a molecular weight of 267.74 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-ethylsulfanyl-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 2818536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).