5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dithione

C10H6N2O2S3 — CID 23740115

IUPAC5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dithione
SMILESO=[N+]([O-])c1cccc(C=C2SC(=S)NC2=S)c1
InChIInChI=1S/C10H6N2O2S3/c13-12(14)7-3-1-2-6(4-7)5-8-9(15)11-10(16)17-8/h1-5H,(H,11,15,16)
InChIKeyVTAPXYXSYUDGGC-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.88
Rot. Bonds2

About 5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dithione

5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dithione (PubChem CID 23740115) has the molecular formula C10H6N2O2S3 and a molecular weight of 282.37 g/mol. Its IUPAC name is 5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dithione.

Molecular Properties

Compound Name5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dithione
PubChem CID23740115
Molecular FormulaC10H6N2O2S3
Molecular Weight282.37 g/mol
Exact Mass281.96
IUPAC Name5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dithione
SMILESO=[N+]([O-])c1cccc(C=C2SC(=S)NC2=S)c1
InChIInChI=1S/C10H6N2O2S3/c13-12(14)7-3-1-2-6(4-7)5-8-9(15)11-10(16)17-8/h1-5H,(H,11,15,16)
InChIKeyVTAPXYXSYUDGGC-UHFFFAOYSA-N
XLogP2.88
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1241126
(5E)-5-[(E)-3-(3-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1354293
(5Z)-5-[(4-nitrophenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 7454864
(5E)-5-[(3-nitrophenyl)methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50870184
(5Z)-3-ethyl-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6988233
(5E)-2-(3-hydroxyphenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135555405
2-(4-methylphenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135523291
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
(5Z)-2-(2,3-dichlorophenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135426164
3-(4-methylphenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1377002
(5E)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 5467828
(5Z)-2-(4-methoxyphenyl)imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135676545

Frequently Asked Questions

What is the IUPAC name of 5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dithione?
The IUPAC name of 5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dithione (CID 23740115) is 5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dithione.
What is the SMILES notation for 5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dithione?
The canonical SMILES for 5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dithione is O=[N+]([O-])c1cccc(C=C2SC(=S)NC2=S)c1.
What is the InChIKey of 5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dithione?
The InChIKey is VTAPXYXSYUDGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2S3/c13-12(14)7-3-1-2-6(4-7)5-8-9(15)11-10(16)17-8/h1-5H,(H,11,15,16).
What are the key properties of 5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dithione?
5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dithione has a molecular weight of 282.37 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dithione is sourced from PubChem (CID 23740115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).