2-(3-chlorophenoxy)-1,3,5-triazine;1,3-dithiole

C12H10ClN3OS2 — CID 161039366

IUPAC2-(3-chlorophenoxy)-1,3,5-triazine;1,3-dithiole
SMILESC1=CSCS1.Clc1cccc(Oc2ncncn2)c1
InChIInChI=1S/C9H6ClN3O.C3H4S2/c10-7-2-1-3-8(4-7)14-9-12-5-11-6-13-9;1-2-5-3-4-1/h1-6H;1-2H,3H2
InChIKeyUARJKDJHVQYFLW-UHFFFAOYSA-N
MW311.82 g/mol
LogP4.21
Rot. Bonds2

About 2-(3-chlorophenoxy)-1,3,5-triazine;1,3-dithiole

2-(3-chlorophenoxy)-1,3,5-triazine;1,3-dithiole (PubChem CID 161039366) has the molecular formula C12H10ClN3OS2 and a molecular weight of 311.82 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1,3,5-triazine;1,3-dithiole.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1,3,5-triazine;1,3-dithiole
PubChem CID161039366
Molecular FormulaC12H10ClN3OS2
Molecular Weight311.82 g/mol
Exact Mass311.00
IUPAC Name2-(3-chlorophenoxy)-1,3,5-triazine;1,3-dithiole
SMILESC1=CSCS1.Clc1cccc(Oc2ncncn2)c1
InChIInChI=1S/C9H6ClN3O.C3H4S2/c10-7-2-1-3-8(4-7)14-9-12-5-11-6-13-9;1-2-5-3-4-1/h1-6H;1-2H,3H2
InChIKeyUARJKDJHVQYFLW-UHFFFAOYSA-N
XLogP4.21
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-(3-chlorophenoxy)pyrimidine
CID 13336560
2-(3-chlorophenoxy)-4,6-dimethylpyrimidine
CID 171984782
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CID 91903136
3,5-dichloro-2-(3-chlorophenoxy)pyridine
CID 91013057
6-(3-chlorophenoxy)pyrimidin-4-amine
CID 80869440
5-chloro-2-(3-methoxyphenoxy)pyrimidine
CID 71402141
5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine
CID 106999196
2-(3-chlorophenoxy)-1,3-thiazol-4-amine
CID 117189228
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
1,2,4-trichloro-5-(3-chlorophenoxy)benzene
CID 23274709
6-(3-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80870325
1-(3-chlorophenyl)-2-(3-pyrimidin-2-yloxyphenoxy)ethanol
CID 109416427

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1,3,5-triazine;1,3-dithiole?
The IUPAC name of 2-(3-chlorophenoxy)-1,3,5-triazine;1,3-dithiole (CID 161039366) is 2-(3-chlorophenoxy)-1,3,5-triazine;1,3-dithiole.
What is the SMILES notation for 2-(3-chlorophenoxy)-1,3,5-triazine;1,3-dithiole?
The canonical SMILES for 2-(3-chlorophenoxy)-1,3,5-triazine;1,3-dithiole is C1=CSCS1.Clc1cccc(Oc2ncncn2)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-1,3,5-triazine;1,3-dithiole?
The InChIKey is UARJKDJHVQYFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O.C3H4S2/c10-7-2-1-3-8(4-7)14-9-12-5-11-6-13-9;1-2-5-3-4-1/h1-6H;1-2H,3H2.
What are the key properties of 2-(3-chlorophenoxy)-1,3,5-triazine;1,3-dithiole?
2-(3-chlorophenoxy)-1,3,5-triazine;1,3-dithiole has a molecular weight of 311.82 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1,3,5-triazine;1,3-dithiole is sourced from PubChem (CID 161039366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).