4-[2-(4-methoxyphenyl)phenyl]-1,3,2-dithiazole

C15H13NOS2 — CID 91574960

IUPAC4-[2-(4-methoxyphenyl)phenyl]-1,3,2-dithiazole
SMILESCOc1ccc(-c2ccccc2C2=CSNS2)cc1
InChIInChI=1S/C15H13NOS2/c1-17-12-8-6-11(7-9-12)13-4-2-3-5-14(13)15-10-18-16-19-15/h2-10,16H,1H3
InChIKeyHNBZRYJQIFSAKU-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.56
Rot. Bonds3

About 4-[2-(4-methoxyphenyl)phenyl]-1,3,2-dithiazole

4-[2-(4-methoxyphenyl)phenyl]-1,3,2-dithiazole (PubChem CID 91574960) has the molecular formula C15H13NOS2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)phenyl]-1,3,2-dithiazole.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)phenyl]-1,3,2-dithiazole
PubChem CID91574960
Molecular FormulaC15H13NOS2
Molecular Weight287.41 g/mol
Exact Mass287.04
IUPAC Name4-[2-(4-methoxyphenyl)phenyl]-1,3,2-dithiazole
SMILESCOc1ccc(-c2ccccc2C2=CSNS2)cc1
InChIInChI=1S/C15H13NOS2/c1-17-12-8-6-11(7-9-12)13-4-2-3-5-14(13)15-10-18-16-19-15/h2-10,16H,1H3
InChIKeyHNBZRYJQIFSAKU-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-methoxyphenyl)phenyl]pyridine
CID 173342516
1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene
CID 139240862
5-[2-(4-methoxyphenyl)phenyl]-1H-pyrazole
CID 57232004
2-[2-(4-methoxyphenyl)phenyl]-1H-imidazole
CID 11736810
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
1-tert-butyl-2-(4-methoxyphenyl)benzene
CID 58663059
2-(4-methoxyphenyl)-N-methylaniline
CID 12555620
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759
2-methoxy-7-(2-phenylphenyl)naphthalene
CID 141340555
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
2-[[2,6-bis(4-methoxyphenyl)phenyl]disulfanyl]-1,3-bis(4-methoxyphenyl)benzene
CID 87488450
2-[2-(4-methoxyphenyl)phenyl]-5-methylpyrimidine
CID 102587488

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)phenyl]-1,3,2-dithiazole?
The IUPAC name of 4-[2-(4-methoxyphenyl)phenyl]-1,3,2-dithiazole (CID 91574960) is 4-[2-(4-methoxyphenyl)phenyl]-1,3,2-dithiazole.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)phenyl]-1,3,2-dithiazole?
The canonical SMILES for 4-[2-(4-methoxyphenyl)phenyl]-1,3,2-dithiazole is COc1ccc(-c2ccccc2C2=CSNS2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)phenyl]-1,3,2-dithiazole?
The InChIKey is HNBZRYJQIFSAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS2/c1-17-12-8-6-11(7-9-12)13-4-2-3-5-14(13)15-10-18-16-19-15/h2-10,16H,1H3.
What are the key properties of 4-[2-(4-methoxyphenyl)phenyl]-1,3,2-dithiazole?
4-[2-(4-methoxyphenyl)phenyl]-1,3,2-dithiazole has a molecular weight of 287.41 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)phenyl]-1,3,2-dithiazole is sourced from PubChem (CID 91574960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).