thiochromeno[3,4-c][1,2,5]thiadiazol-4-one

C9H4N2OS2 — CID 768412

IUPACthiochromeno[3,4-c][1,2,5]thiadiazol-4-one
SMILESO=c1sc2ccccc2c2nsnc12
InChIInChI=1S/C9H4N2OS2/c12-9-8-7(10-14-11-8)5-3-1-2-4-6(5)13-9/h1-4H
InChIKeyUAIPDVSQKHBDKR-UHFFFAOYSA-N
MW220.28 g/mol
LogP2.27
Rot. Bonds

About thiochromeno[3,4-c][1,2,5]thiadiazol-4-one

thiochromeno[3,4-c][1,2,5]thiadiazol-4-one (PubChem CID 768412) has the molecular formula C9H4N2OS2 and a molecular weight of 220.28 g/mol. Its IUPAC name is thiochromeno[3,4-c][1,2,5]thiadiazol-4-one.

Molecular Properties

Compound Namethiochromeno[3,4-c][1,2,5]thiadiazol-4-one
PubChem CID768412
Molecular FormulaC9H4N2OS2
Molecular Weight220.28 g/mol
Exact Mass219.98
IUPAC Namethiochromeno[3,4-c][1,2,5]thiadiazol-4-one
SMILESO=c1sc2ccccc2c2nsnc12
InChIInChI=1S/C9H4N2OS2/c12-9-8-7(10-14-11-8)5-3-1-2-4-6(5)13-9/h1-4H
InChIKeyUAIPDVSQKHBDKR-UHFFFAOYSA-N
XLogP2.27
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methylthiochromeno[3,4-d]imidazol-4-one
CID 1240549
[1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline
CID 56941578
[1]benzothiolo[3,2-c][1,2]thiazole
CID 14933191
dibenzothiophene;formaldehyde
CID 20556925
[1]benzothiolo[3,2-b]pyridine
CID 174218515
dibenzothiophene;methane
CID 162233710
2-(morpholin-4-ylmethyl)-3H-thiochromeno[3,4-d]imidazol-4-one
CID 24835527
bis(dibenzothiophene);ethane
CID 143921746
1,1'-biphenyl;thioxanthen-9-one
CID 159774057
10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione
CID 10615659
12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2,1,3-benzothiadiazol-7-yl]-[1]benzothiolo[2,3-a]carbazole
CID 135178433
2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 15441450

Frequently Asked Questions

What is the IUPAC name of thiochromeno[3,4-c][1,2,5]thiadiazol-4-one?
The IUPAC name of thiochromeno[3,4-c][1,2,5]thiadiazol-4-one (CID 768412) is thiochromeno[3,4-c][1,2,5]thiadiazol-4-one.
What is the SMILES notation for thiochromeno[3,4-c][1,2,5]thiadiazol-4-one?
The canonical SMILES for thiochromeno[3,4-c][1,2,5]thiadiazol-4-one is O=c1sc2ccccc2c2nsnc12.
What is the InChIKey of thiochromeno[3,4-c][1,2,5]thiadiazol-4-one?
The InChIKey is UAIPDVSQKHBDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4N2OS2/c12-9-8-7(10-14-11-8)5-3-1-2-4-6(5)13-9/h1-4H.
What are the key properties of thiochromeno[3,4-c][1,2,5]thiadiazol-4-one?
thiochromeno[3,4-c][1,2,5]thiadiazol-4-one has a molecular weight of 220.28 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiochromeno[3,4-c][1,2,5]thiadiazol-4-one is sourced from PubChem (CID 768412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).