3-(3,4-dichlorophenyl)-1,3,4-thiadiazolidine-2,5-dithione

C8H4Cl2N2S3 — CID 2473283

IUPAC3-(3,4-dichlorophenyl)-1,3,4-thiadiazolidine-2,5-dithione
SMILESS=c1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=S)s1
InChIInChI=1S/C8H4Cl2N2S3/c9-5-2-1-4(3-6(5)10)12-8(14)15-7(13)11-12/h1-3H,(H,11,13)
InChIKeyFEFHFVSDMUAFSF-UHFFFAOYSA-N
MW295.24 g/mol
LogP4.63
Rot. Bonds1

About 3-(3,4-dichlorophenyl)-1,3,4-thiadiazolidine-2,5-dithione

3-(3,4-dichlorophenyl)-1,3,4-thiadiazolidine-2,5-dithione (PubChem CID 2473283) has the molecular formula C8H4Cl2N2S3 and a molecular weight of 295.24 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1,3,4-thiadiazolidine-2,5-dithione.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1,3,4-thiadiazolidine-2,5-dithione
PubChem CID2473283
Molecular FormulaC8H4Cl2N2S3
Molecular Weight295.24 g/mol
Exact Mass293.89
IUPAC Name3-(3,4-dichlorophenyl)-1,3,4-thiadiazolidine-2,5-dithione
SMILESS=c1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=S)s1
InChIInChI=1S/C8H4Cl2N2S3/c9-5-2-1-4(3-6(5)10)12-8(14)15-7(13)11-12/h1-3H,(H,11,13)
InChIKeyFEFHFVSDMUAFSF-UHFFFAOYSA-N
XLogP4.63
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one
CID 2801248
2-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione;ethane
CID 144764774
2-(3,4-dichlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one
CID 59707174
1-(3,4-dichlorophenyl)azetidin-3-ol
CID 155174092
1-(3,4-dichlorophenyl)pyrazole
CID 20572459
4-acetyl-2-(3,4-dichlorophenyl)-3-methyl-1H-pyrazol-5-one
CID 71503599
4-benzoyl-2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one
CID 140914000
1-(3,4-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2266625
5-[(3,4-dichlorophenyl)methyl]-4-methyl-3H-1,3-thiazole-2-thione
CID 2535200
2-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
CID 3920121
sodium 4-(3,4-dichlorophenyl)piperazine-1-carbodithioic acid
CID 54608754
2-(3,4-dichlorophenyl)-5-pyridin-3-yl-1H-pyrazol-3-one
CID 58784833

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1,3,4-thiadiazolidine-2,5-dithione?
The IUPAC name of 3-(3,4-dichlorophenyl)-1,3,4-thiadiazolidine-2,5-dithione (CID 2473283) is 3-(3,4-dichlorophenyl)-1,3,4-thiadiazolidine-2,5-dithione.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1,3,4-thiadiazolidine-2,5-dithione?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1,3,4-thiadiazolidine-2,5-dithione is S=c1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=S)s1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1,3,4-thiadiazolidine-2,5-dithione?
The InChIKey is FEFHFVSDMUAFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2S3/c9-5-2-1-4(3-6(5)10)12-8(14)15-7(13)11-12/h1-3H,(H,11,13).
What are the key properties of 3-(3,4-dichlorophenyl)-1,3,4-thiadiazolidine-2,5-dithione?
3-(3,4-dichlorophenyl)-1,3,4-thiadiazolidine-2,5-dithione has a molecular weight of 295.24 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1,3,4-thiadiazolidine-2,5-dithione is sourced from PubChem (CID 2473283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).