2-chloro-4,6-dithiophen-2-yl-1,3,5-triazine

C11H6ClN3S2 — CID 21413009

IUPAC2-chloro-4,6-dithiophen-2-yl-1,3,5-triazine
SMILESClc1nc(-c2cccs2)nc(-c2cccs2)n1
InChIInChI=1S/C11H6ClN3S2/c12-11-14-9(7-3-1-5-16-7)13-10(15-11)8-4-2-6-17-8/h1-6H
InChIKeyUHAJVALTYQAFPE-UHFFFAOYSA-N
MW279.78 g/mol
LogP3.98
Rot. Bonds2

About 2-chloro-4,6-dithiophen-2-yl-1,3,5-triazine

2-chloro-4,6-dithiophen-2-yl-1,3,5-triazine (PubChem CID 21413009) has the molecular formula C11H6ClN3S2 and a molecular weight of 279.78 g/mol. Its IUPAC name is 2-chloro-4,6-dithiophen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-dithiophen-2-yl-1,3,5-triazine
PubChem CID21413009
Molecular FormulaC11H6ClN3S2
Molecular Weight279.78 g/mol
Exact Mass278.97
IUPAC Name2-chloro-4,6-dithiophen-2-yl-1,3,5-triazine
SMILESClc1nc(-c2cccs2)nc(-c2cccs2)n1
InChIInChI=1S/C11H6ClN3S2/c12-11-14-9(7-3-1-5-16-7)13-10(15-11)8-4-2-6-17-8/h1-6H
InChIKeyUHAJVALTYQAFPE-UHFFFAOYSA-N
XLogP3.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.78
LogP ≤ 53.98
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-dithiophen-2-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-dithiophen-2-yl-1,3,5-triazine (CID 21413009) is 2-chloro-4,6-dithiophen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-dithiophen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-dithiophen-2-yl-1,3,5-triazine is Clc1nc(-c2cccs2)nc(-c2cccs2)n1.
What is the InChIKey of 2-chloro-4,6-dithiophen-2-yl-1,3,5-triazine?
The InChIKey is UHAJVALTYQAFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3S2/c12-11-14-9(7-3-1-5-16-7)13-10(15-11)8-4-2-6-17-8/h1-6H.
What are the key properties of 2-chloro-4,6-dithiophen-2-yl-1,3,5-triazine?
2-chloro-4,6-dithiophen-2-yl-1,3,5-triazine has a molecular weight of 279.78 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dithiophen-2-yl-1,3,5-triazine is sourced from PubChem (CID 21413009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).