thieno[3,4-b][1,4]benzodioxine-1,3-diamine

C10H8N2O2S — CID 134179866

IUPACthieno[3,4-b][1,4]benzodioxine-1,3-diamine
SMILESNc1sc(N)c2c1Oc1ccccc1O2
InChIInChI=1S/C10H8N2O2S/c11-9-7-8(10(12)15-9)14-6-4-2-1-3-5(6)13-7/h1-4H,11-12H2
InChIKeyXEQXDAQHUMIJGU-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.81
Rot. Bonds

About thieno[3,4-b][1,4]benzodioxine-1,3-diamine

thieno[3,4-b][1,4]benzodioxine-1,3-diamine (PubChem CID 134179866) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is thieno[3,4-b][1,4]benzodioxine-1,3-diamine.

Molecular Properties

Compound Namethieno[3,4-b][1,4]benzodioxine-1,3-diamine
PubChem CID134179866
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Namethieno[3,4-b][1,4]benzodioxine-1,3-diamine
SMILESNc1sc(N)c2c1Oc1ccccc1O2
InChIInChI=1S/C10H8N2O2S/c11-9-7-8(10(12)15-9)14-6-4-2-1-3-5(6)13-7/h1-4H,11-12H2
InChIKeyXEQXDAQHUMIJGU-UHFFFAOYSA-N
XLogP2.81
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

dibenzo-p-dioxin-1,4-diamine
CID 45028383
7-oxabicyclo[4.1.0]hepta-1,3,5-triene;sulfane
CID 174614993
1,4-diiododibenzo-p-dioxin
CID 172505013
1,4-benzodioxin-3-amine
CID 69264679
dibenzo-p-dioxin-2-amine
CID 1070744
thieno[3,4-b][1,4]benzodioxine
CID 11159801
1,4-dioxine;1,2,3,4-tetrachlorodibenzo-p-dioxin
CID 66898767
4-[3-(3-aminodibenzo-p-dioxin-1-yl)phenyl]dibenzo-p-dioxin-2-amine
CID 70145384
1,3-dimethyldibenzo-p-dioxin
CID 131860997
9H-xanthene-3,4-diamine
CID 174775292
dibenzo-p-dioxin-1-carbonitrile
CID 11275811
2-phenoxy-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene-3,4-diamine
CID 175023268

Frequently Asked Questions

What is the IUPAC name of thieno[3,4-b][1,4]benzodioxine-1,3-diamine?
The IUPAC name of thieno[3,4-b][1,4]benzodioxine-1,3-diamine (CID 134179866) is thieno[3,4-b][1,4]benzodioxine-1,3-diamine.
What is the SMILES notation for thieno[3,4-b][1,4]benzodioxine-1,3-diamine?
The canonical SMILES for thieno[3,4-b][1,4]benzodioxine-1,3-diamine is Nc1sc(N)c2c1Oc1ccccc1O2.
What is the InChIKey of thieno[3,4-b][1,4]benzodioxine-1,3-diamine?
The InChIKey is XEQXDAQHUMIJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c11-9-7-8(10(12)15-9)14-6-4-2-1-3-5(6)13-7/h1-4H,11-12H2.
What are the key properties of thieno[3,4-b][1,4]benzodioxine-1,3-diamine?
thieno[3,4-b][1,4]benzodioxine-1,3-diamine has a molecular weight of 220.25 g/mol, XLogP of 2.81, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,4-b][1,4]benzodioxine-1,3-diamine is sourced from PubChem (CID 134179866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).