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

C9H6ClN3S — CID 54164661

IUPAC2-chloro-4-phenylsulfanyl-1,3,5-triazine
SMILESClc1ncnc(Sc2ccccc2)n1
InChIInChI=1S/C9H6ClN3S/c10-8-11-6-12-9(13-8)14-7-4-2-1-3-5-7/h1-6H
InChIKeyQWWRLEMNLJFFFG-UHFFFAOYSA-N
MW223.69 g/mol
LogP2.68
Rot. Bonds2

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

2-chloro-4-phenylsulfanyl-1,3,5-triazine (PubChem CID 54164661) has the molecular formula C9H6ClN3S and a molecular weight of 223.69 g/mol. Its IUPAC name is 2-chloro-4-phenylsulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-phenylsulfanyl-1,3,5-triazine
PubChem CID54164661
Molecular FormulaC9H6ClN3S
Molecular Weight223.69 g/mol
Exact Mass223.00
IUPAC Name2-chloro-4-phenylsulfanyl-1,3,5-triazine
SMILESClc1ncnc(Sc2ccccc2)n1
InChIInChI=1S/C9H6ClN3S/c10-8-11-6-12-9(13-8)14-7-4-2-1-3-5-7/h1-6H
InChIKeyQWWRLEMNLJFFFG-UHFFFAOYSA-N
XLogP2.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.69
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenylsulfanyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-phenylsulfanyl-1,3,5-triazine (CID 54164661) is 2-chloro-4-phenylsulfanyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-phenylsulfanyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-phenylsulfanyl-1,3,5-triazine is Clc1ncnc(Sc2ccccc2)n1.
What is the InChIKey of 2-chloro-4-phenylsulfanyl-1,3,5-triazine?
The InChIKey is QWWRLEMNLJFFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3S/c10-8-11-6-12-9(13-8)14-7-4-2-1-3-5-7/h1-6H.
What are the key properties of 2-chloro-4-phenylsulfanyl-1,3,5-triazine?
2-chloro-4-phenylsulfanyl-1,3,5-triazine has a molecular weight of 223.69 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenylsulfanyl-1,3,5-triazine is sourced from PubChem (CID 54164661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).