4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one

C11H7N3OS2 — CID 137099069

IUPAC4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one
SMILESO=c1nc(-c2cccs2)nc(-c2cccs2)[nH]1
InChIInChI=1S/C11H7N3OS2/c15-11-13-9(7-3-1-5-16-7)12-10(14-11)8-4-2-6-17-8/h1-6H,(H,12,13,14,15)
InChIKeyPRTAWZXJYBRYIB-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.62
Rot. Bonds2

About 4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one

4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one (PubChem CID 137099069) has the molecular formula C11H7N3OS2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one
PubChem CID137099069
Molecular FormulaC11H7N3OS2
Molecular Weight261.33 g/mol
Exact Mass261.00
IUPAC Name4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one
SMILESO=c1nc(-c2cccs2)nc(-c2cccs2)[nH]1
InChIInChI=1S/C11H7N3OS2/c15-11-13-9(7-3-1-5-16-7)12-10(14-11)8-4-2-6-17-8/h1-6H,(H,12,13,14,15)
InChIKeyPRTAWZXJYBRYIB-UHFFFAOYSA-N
XLogP2.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 62744538
2-methyl-5-thiophen-2-yl-4H-1,2,4-triazol-3-one
CID 137219354
2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid
CID 135970682
2,2-dioxo-6-thiophen-2-yl-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
CID 135408996
6-iodo-2-thiophen-2-yl-3H-quinazolin-4-one
CID 135436359
1,3-dipropyl-8-thiophen-2-yl-7H-purine-2,6-dione
CID 14795484
5-methyl-4-(2-methylphenyl)-2-thiophen-2-yl-1H-imidazole
CID 142168744
5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine
CID 62794401
1-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)ethanone
CID 143935646
ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate
CID 70858476
4-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one
CID 136980831
5-thiophen-2-yl-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2(7),5-trien-3-one
CID 804280

Frequently Asked Questions

What is the IUPAC name of 4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one?
The IUPAC name of 4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one (CID 137099069) is 4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one?
The canonical SMILES for 4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one is O=c1nc(-c2cccs2)nc(-c2cccs2)[nH]1.
What is the InChIKey of 4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one?
The InChIKey is PRTAWZXJYBRYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3OS2/c15-11-13-9(7-3-1-5-16-7)12-10(14-11)8-4-2-6-17-8/h1-6H,(H,12,13,14,15).
What are the key properties of 4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one?
4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one has a molecular weight of 261.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 137099069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).