2-chloro-4,6-bis(phenylsulfanyl)-1,3,5-triazine

C15H10ClN3S2 — CID 555884

IUPAC2-chloro-4,6-bis(phenylsulfanyl)-1,3,5-triazine
SMILESClc1nc(Sc2ccccc2)nc(Sc2ccccc2)n1
InChIInChI=1S/C15H10ClN3S2/c16-13-17-14(20-11-7-3-1-4-8-11)19-15(18-13)21-12-9-5-2-6-10-12/h1-10H
InChIKeyAYOLJFNTSUUEPO-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.83
Rot. Bonds4

About 2-chloro-4,6-bis(phenylsulfanyl)-1,3,5-triazine

2-chloro-4,6-bis(phenylsulfanyl)-1,3,5-triazine (PubChem CID 555884) has the molecular formula C15H10ClN3S2 and a molecular weight of 331.85 g/mol. Its IUPAC name is 2-chloro-4,6-bis(phenylsulfanyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-bis(phenylsulfanyl)-1,3,5-triazine
PubChem CID555884
Molecular FormulaC15H10ClN3S2
Molecular Weight331.85 g/mol
Exact Mass331.00
IUPAC Name2-chloro-4,6-bis(phenylsulfanyl)-1,3,5-triazine
SMILESClc1nc(Sc2ccccc2)nc(Sc2ccccc2)n1
InChIInChI=1S/C15H10ClN3S2/c16-13-17-14(20-11-7-3-1-4-8-11)19-15(18-13)21-12-9-5-2-6-10-12/h1-10H
InChIKeyAYOLJFNTSUUEPO-UHFFFAOYSA-N
XLogP4.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-bis(phenylsulfanyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-bis(phenylsulfanyl)-1,3,5-triazine (CID 555884) is 2-chloro-4,6-bis(phenylsulfanyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-bis(phenylsulfanyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-bis(phenylsulfanyl)-1,3,5-triazine is Clc1nc(Sc2ccccc2)nc(Sc2ccccc2)n1.
What is the InChIKey of 2-chloro-4,6-bis(phenylsulfanyl)-1,3,5-triazine?
The InChIKey is AYOLJFNTSUUEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3S2/c16-13-17-14(20-11-7-3-1-4-8-11)19-15(18-13)21-12-9-5-2-6-10-12/h1-10H.
What are the key properties of 2-chloro-4,6-bis(phenylsulfanyl)-1,3,5-triazine?
2-chloro-4,6-bis(phenylsulfanyl)-1,3,5-triazine has a molecular weight of 331.85 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-bis(phenylsulfanyl)-1,3,5-triazine is sourced from PubChem (CID 555884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).