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

C17H20N2OS2 — CID 142853289

IUPACbutane;2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one
SMILESC=C1C2=C(SC(N)=C(N)S2)C(=O)c2ccccc21.CCCC
InChIInChI=1S/C13H10N2OS2.C4H10/c1-6-7-4-2-3-5-8(7)9(16)11-10(6)17-12(14)13(15)18-11;1-3-4-2/h2-5H,1,14-15H2;3-4H2,1-2H3
InChIKeyKHNDNGOEWMUPIP-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.44
Rot. Bonds1

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

butane;2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one (PubChem CID 142853289) has the molecular formula C17H20N2OS2 and a molecular weight of 332.49 g/mol. Its IUPAC name is butane;2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one.

Molecular Properties

Compound Namebutane;2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one
PubChem CID142853289
Molecular FormulaC17H20N2OS2
Molecular Weight332.49 g/mol
Exact Mass332.10
IUPAC Namebutane;2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one
SMILESC=C1C2=C(SC(N)=C(N)S2)C(=O)c2ccccc21.CCCC
InChIInChI=1S/C13H10N2OS2.C4H10/c1-6-7-4-2-3-5-8(7)9(16)11-10(6)17-12(14)13(15)18-11;1-3-4-2/h2-5H,1,14-15H2;3-4H2,1-2H3
InChIKeyKHNDNGOEWMUPIP-UHFFFAOYSA-N
XLogP4.44
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze butane;2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one
CID 142853290
(2E)-7-amino-2-(7-amino-3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
CID 102586418
anthracene-9,10-dione;propane
CID 162068050
4-(butylamino)-10-methylideneanthracen-9-one;ethane;4-methylaniline
CID 142036980
ethane;2-methylidene-1-benzothiophen-3-one
CID 91303028
2,3-diaminonaphthalene-1,4-dione
CID 4167268
anthracene-9,10-dione;carbanide;ethane;yttrium
CID 165067148
2-(chloromethyl)-3-methyl-4-methylidenenaphthalen-1-one
CID 89341383
2-methyl-3-propylnaphthalene-1,4-dione
CID 12765187
2-methyl-3-propylinden-1-one
CID 10465047
2,3-dibutylinden-1-one
CID 10657817
10-(2,3-dipropylcycloprop-2-en-1-ylidene)anthracen-9-one
CID 628791

Frequently Asked Questions

What is the IUPAC name of butane;2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one?
The IUPAC name of butane;2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one (CID 142853289) is butane;2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one.
What is the SMILES notation for butane;2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one?
The canonical SMILES for butane;2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one is C=C1C2=C(SC(N)=C(N)S2)C(=O)c2ccccc21.CCCC.
What is the InChIKey of butane;2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one?
The InChIKey is KHNDNGOEWMUPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2.C4H10/c1-6-7-4-2-3-5-8(7)9(16)11-10(6)17-12(14)13(15)18-11;1-3-4-2/h2-5H,1,14-15H2;3-4H2,1-2H3.
What are the key properties of butane;2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one?
butane;2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one has a molecular weight of 332.49 g/mol, XLogP of 4.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2,3-diamino-10-methylidenebenzo[g][1,4]benzodithiin-5-one is sourced from PubChem (CID 142853289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).