2-chloro-4-(3-chlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine

C12H7Cl2N5S — CID 62867231

IUPAC2-chloro-4-(3-chlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
SMILESClc1cccc(Sc2nc(Cl)nc(-n3ccnc3)n2)c1
InChIInChI=1S/C12H7Cl2N5S/c13-8-2-1-3-9(6-8)20-12-17-10(14)16-11(18-12)19-5-4-15-7-19/h1-7H
InChIKeyJCHJBCVYILWIFM-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.52
Rot. Bonds3

About 2-chloro-4-(3-chlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine

2-chloro-4-(3-chlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine (PubChem CID 62867231) has the molecular formula C12H7Cl2N5S and a molecular weight of 324.20 g/mol. Its IUPAC name is 2-chloro-4-(3-chlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3-chlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
PubChem CID62867231
Molecular FormulaC12H7Cl2N5S
Molecular Weight324.20 g/mol
Exact Mass322.98
IUPAC Name2-chloro-4-(3-chlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
SMILESClc1cccc(Sc2nc(Cl)nc(-n3ccnc3)n2)c1
InChIInChI=1S/C12H7Cl2N5S/c13-8-2-1-3-9(6-8)20-12-17-10(14)16-11(18-12)19-5-4-15-7-19/h1-7H
InChIKeyJCHJBCVYILWIFM-UHFFFAOYSA-N
XLogP3.52
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3-chlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine (CID 62867231) is 2-chloro-4-(3-chlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3-chlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3-chlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine is Clc1cccc(Sc2nc(Cl)nc(-n3ccnc3)n2)c1.
What is the InChIKey of 2-chloro-4-(3-chlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine?
The InChIKey is JCHJBCVYILWIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N5S/c13-8-2-1-3-9(6-8)20-12-17-10(14)16-11(18-12)19-5-4-15-7-19/h1-7H.
What are the key properties of 2-chloro-4-(3-chlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine?
2-chloro-4-(3-chlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine has a molecular weight of 324.20 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-chlorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 62867231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).