(1,3-dioxoinden-2-ylidene)thiourea

C10H6N2O2S — CID 2831834

IUPAC(1,3-dioxoinden-2-ylidene)thiourea
SMILESNC(=S)N=c1c(=O)c2ccccc2c1=O
InChIInChI=1S/C10H6N2O2S/c11-10(15)12-7-8(13)5-3-1-2-4-6(5)9(7)14/h1-4H,(H2,11,15)
InChIKeyOYSHNTCKAVWECS-UHFFFAOYSA-N
MW218.24 g/mol
LogP-0.42
Rot. Bonds

About (1,3-dioxoinden-2-ylidene)thiourea

(1,3-dioxoinden-2-ylidene)thiourea (PubChem CID 2831834) has the molecular formula C10H6N2O2S and a molecular weight of 218.24 g/mol. Its IUPAC name is (1,3-dioxoinden-2-ylidene)thiourea.

Molecular Properties

Compound Name(1,3-dioxoinden-2-ylidene)thiourea
PubChem CID2831834
Molecular FormulaC10H6N2O2S
Molecular Weight218.24 g/mol
Exact Mass218.01
IUPAC Name(1,3-dioxoinden-2-ylidene)thiourea
SMILESNC(=S)N=c1c(=O)c2ccccc2c1=O
InChIInChI=1S/C10H6N2O2S/c11-10(15)12-7-8(13)5-3-1-2-4-6(5)9(7)14/h1-4H,(H2,11,15)
InChIKeyOYSHNTCKAVWECS-UHFFFAOYSA-N
XLogP-0.42
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-Diazo-1-indanone
CID 568424
2-(Hydroxyimino)-1H-indene-1,3(2H)-dione
CID 316190
3-Sulfanylindeno[2,3-e]1,2,4-triazin-5-one
CID 1111681
2-Diazoindane-1,3-dione
CID 4174836
2-(Methoxyimino)-1H-indene-1,3(2H)-dione
CID 594173
2-(2-((Aminothioxomethyl)amino)-2-aza-1-methylvinyl)indane-1,3-dione
CID 5427627
2-cyano-1-oxo-1H-inden-3-olate
CID 4315728
5-fluoro-2-imino-3H-inden-1-one
CID 144974233
6-fluoro-2-imino-3H-inden-1-one
CID 171832272
2-[(1,3-Dioxoinden-2-ylidene)amino]guanidine;sulfuric acid
CID 54609874
2-(n-Propylethanimidoyl)-1H-indene-1,3(2H)-dione
CID 2238109
2-(1,3-Dioxo-1h-inden-2(3h)-ylidene)hydrazinecarbothioamide
CID 962332

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoinden-2-ylidene)thiourea?
The IUPAC name of (1,3-dioxoinden-2-ylidene)thiourea (CID 2831834) is (1,3-dioxoinden-2-ylidene)thiourea.
What is the SMILES notation for (1,3-dioxoinden-2-ylidene)thiourea?
The canonical SMILES for (1,3-dioxoinden-2-ylidene)thiourea is NC(=S)N=c1c(=O)c2ccccc2c1=O.
What is the InChIKey of (1,3-dioxoinden-2-ylidene)thiourea?
The InChIKey is OYSHNTCKAVWECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2S/c11-10(15)12-7-8(13)5-3-1-2-4-6(5)9(7)14/h1-4H,(H2,11,15).
What are the key properties of (1,3-dioxoinden-2-ylidene)thiourea?
(1,3-dioxoinden-2-ylidene)thiourea has a molecular weight of 218.24 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoinden-2-ylidene)thiourea is sourced from PubChem (CID 2831834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).