5-(4-methoxyphenyl)imino-4-phenyl-1,2,4-dithiazolidine-3-thione

C15H12N2OS3 — CID 57148854

IUPAC5-(4-methoxyphenyl)imino-4-phenyl-1,2,4-dithiazolidine-3-thione
SMILESCOc1ccc(/N=c2\ssc(=S)n2-c2ccccc2)cc1
InChIInChI=1S/C15H12N2OS3/c1-18-13-9-7-11(8-10-13)16-14-17(15(19)21-20-14)12-5-3-2-4-6-12/h2-10H,1H3/b16-14-
InChIKeyJQEUKFNXFWIRLS-PEZBUJJGSA-N
MW332.48 g/mol
LogP4.57
Rot. Bonds3

About 5-(4-methoxyphenyl)imino-4-phenyl-1,2,4-dithiazolidine-3-thione

5-(4-methoxyphenyl)imino-4-phenyl-1,2,4-dithiazolidine-3-thione (PubChem CID 57148854) has the molecular formula C15H12N2OS3 and a molecular weight of 332.48 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)imino-4-phenyl-1,2,4-dithiazolidine-3-thione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)imino-4-phenyl-1,2,4-dithiazolidine-3-thione
PubChem CID57148854
Molecular FormulaC15H12N2OS3
Molecular Weight332.48 g/mol
Exact Mass332.01
IUPAC Name5-(4-methoxyphenyl)imino-4-phenyl-1,2,4-dithiazolidine-3-thione
SMILESCOc1ccc(/N=c2\ssc(=S)n2-c2ccccc2)cc1
InChIInChI=1S/C15H12N2OS3/c1-18-13-9-7-11(8-10-13)16-14-17(15(19)21-20-14)12-5-3-2-4-6-12/h2-10H,1H3/b16-14-
InChIKeyJQEUKFNXFWIRLS-PEZBUJJGSA-N
XLogP4.57
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 3743621
4-(4-methoxyphenyl)-5-methyl-N,3-diphenyl-1,3-thiazol-2-imine bromide
CID 21180197
N-[4-(4-methoxyphenyl)-2-phenyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-ylidene]-N'-(4-methylphenyl)benzenecarboximidamide
CID 3700758
3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione
CID 741656
4-hydroxy-5-[5-(4-methoxyphenyl)iminopenta-1,3-dienyl]-3-phenyl-1,3-thiazole-2-thione
CID 3819108
5-N-methyl-3-N-(4-nitrophenyl)-4-phenyl-1,2,4-dithiazolidine-3,5-diimine
CID 14490099
3-(4-methoxyphenyl)-N,2-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide
CID 70687827
3-(4-methoxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
CID 764320
5-(dimethylamino)-3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione
CID 15356871
anisole;hydrochloride
CID 158800007
5-(4-methoxyphenyl)-2-methyl-4-phenyl-1,2,4-triazole-3-thione
CID 10709139
N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine
CID 171055873

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)imino-4-phenyl-1,2,4-dithiazolidine-3-thione?
The IUPAC name of 5-(4-methoxyphenyl)imino-4-phenyl-1,2,4-dithiazolidine-3-thione (CID 57148854) is 5-(4-methoxyphenyl)imino-4-phenyl-1,2,4-dithiazolidine-3-thione.
What is the SMILES notation for 5-(4-methoxyphenyl)imino-4-phenyl-1,2,4-dithiazolidine-3-thione?
The canonical SMILES for 5-(4-methoxyphenyl)imino-4-phenyl-1,2,4-dithiazolidine-3-thione is COc1ccc(/N=c2\ssc(=S)n2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)imino-4-phenyl-1,2,4-dithiazolidine-3-thione?
The InChIKey is JQEUKFNXFWIRLS-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H12N2OS3/c1-18-13-9-7-11(8-10-13)16-14-17(15(19)21-20-14)12-5-3-2-4-6-12/h2-10H,1H3/b16-14-.
What are the key properties of 5-(4-methoxyphenyl)imino-4-phenyl-1,2,4-dithiazolidine-3-thione?
5-(4-methoxyphenyl)imino-4-phenyl-1,2,4-dithiazolidine-3-thione has a molecular weight of 332.48 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)imino-4-phenyl-1,2,4-dithiazolidine-3-thione is sourced from PubChem (CID 57148854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).