2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one

C13H10N2OS2 — CID 142853290

IUPAC2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one
SMILESC=C1C2=C(SC(N)=C(N)S2)C(=O)c2ccccc21
InChIInChI=1S/C13H10N2OS2/c1-6-7-4-2-3-5-8(7)9(16)11-10(6)17-12(14)13(15)18-11/h2-5H,1,14-15H2
InChIKeyZZSXGOXVYUJAJI-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.63
Rot. Bonds

About 2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one

2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one (PubChem CID 142853290) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one.

Molecular Properties

Compound Name2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one
PubChem CID142853290
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC Name2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one
SMILESC=C1C2=C(SC(N)=C(N)S2)C(=O)c2ccccc21
InChIInChI=1S/C13H10N2OS2/c1-6-7-4-2-3-5-8(7)9(16)11-10(6)17-12(14)13(15)18-11/h2-5H,1,14-15H2
InChIKeyZZSXGOXVYUJAJI-UHFFFAOYSA-N
XLogP2.63
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

butane;2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one
CID 142853289
(2E)-7-amino-2-(7-amino-3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
CID 102586418
2,3-diaminonaphthalene-1,4-dione
CID 4167268
CID 158261979
CID 158261979
ethane;2-methylidene-1-benzothiophen-3-one
CID 91303028
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 67824005
CID 67824005
lithium;anthracene-9,10-dione;hydride
CID 174683199
CID 66807709
CID 66807709
phenanthrene-9,10-dione
CID 6763
anthracene-9,10-dione;carbanide;ethane;yttrium
CID 165067148
(3Z)-3-(3-oxo-1-benzothiophen-2-ylidene)-2-benzothiophen-1-one
CID 102187193

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one?
The IUPAC name of 2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one (CID 142853290) is 2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one.
What is the SMILES notation for 2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one?
The canonical SMILES for 2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one is C=C1C2=C(SC(N)=C(N)S2)C(=O)c2ccccc21.
What is the InChIKey of 2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one?
The InChIKey is ZZSXGOXVYUJAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c1-6-7-4-2-3-5-8(7)9(16)11-10(6)17-12(14)13(15)18-11/h2-5H,1,14-15H2.
What are the key properties of 2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one?
2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one has a molecular weight of 274.37 g/mol, XLogP of 2.63, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one is sourced from PubChem (CID 142853290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).