4-(6H-benzo[c]thiochromen-2-yl)aniline

C19H15NS — CID 165116806

IUPAC4-(6H-benzo[c]thiochromen-2-yl)aniline
SMILESNc1ccc(-c2ccc3c(c2)-c2ccccc2CS3)cc1
InChIInChI=1S/C19H15NS/c20-16-8-5-13(6-9-16)14-7-10-19-18(11-14)17-4-2-1-3-15(17)12-21-19/h1-11H,12,20H2
InChIKeyALIJSKPXWWILAV-UHFFFAOYSA-N
MW289.40 g/mol
LogP5.21
Rot. Bonds1

About 4-(6H-benzo[c]thiochromen-2-yl)aniline

4-(6H-benzo[c]thiochromen-2-yl)aniline (PubChem CID 165116806) has the molecular formula C19H15NS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-(6H-benzo[c]thiochromen-2-yl)aniline.

Molecular Properties

Compound Name4-(6H-benzo[c]thiochromen-2-yl)aniline
PubChem CID165116806
Molecular FormulaC19H15NS
Molecular Weight289.40 g/mol
Exact Mass289.09
IUPAC Name4-(6H-benzo[c]thiochromen-2-yl)aniline
SMILESNc1ccc(-c2ccc3c(c2)-c2ccccc2CS3)cc1
InChIInChI=1S/C19H15NS/c20-16-8-5-13(6-9-16)14-7-10-19-18(11-14)17-4-2-1-3-15(17)12-21-19/h1-11H,12,20H2
InChIKeyALIJSKPXWWILAV-UHFFFAOYSA-N
XLogP5.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.40
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(3,5-diphenylphenyl)-6H-benzo[c]thiochromen-9-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 129136381
4-[3,4-bis(4-aminophenyl)phenyl]aniline
CID 101079504
4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375
1-methyl-6H-benzo[c]thiochromene
CID 166919119
(NZ)-N-(6H-benzo[c][1]benzothiepin-11-ylidene)hydroxylamine
CID 152773087
2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline
CID 161385819
4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
CID 19793996
9H-fluoren-2-amine;hydrobromide
CID 141482724
5-(4-aminophenyl)-2-[2-[2-[5-(4-aminophenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione
CID 171043216
1-(4-aminophenyl)-9H-fluorene-3-carboxylic acid
CID 172783159
4-[3,5-bis(4-aminophenyl)phenyl]aniline
CID 12058813
2-[2-(dimethylamino)ethoxy]-6H-benzo[c][1]benzothiepin-11-one
CID 1201730

Frequently Asked Questions

What is the IUPAC name of 4-(6H-benzo[c]thiochromen-2-yl)aniline?
The IUPAC name of 4-(6H-benzo[c]thiochromen-2-yl)aniline (CID 165116806) is 4-(6H-benzo[c]thiochromen-2-yl)aniline.
What is the SMILES notation for 4-(6H-benzo[c]thiochromen-2-yl)aniline?
The canonical SMILES for 4-(6H-benzo[c]thiochromen-2-yl)aniline is Nc1ccc(-c2ccc3c(c2)-c2ccccc2CS3)cc1.
What is the InChIKey of 4-(6H-benzo[c]thiochromen-2-yl)aniline?
The InChIKey is ALIJSKPXWWILAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NS/c20-16-8-5-13(6-9-16)14-7-10-19-18(11-14)17-4-2-1-3-15(17)12-21-19/h1-11H,12,20H2.
What are the key properties of 4-(6H-benzo[c]thiochromen-2-yl)aniline?
4-(6H-benzo[c]thiochromen-2-yl)aniline has a molecular weight of 289.40 g/mol, XLogP of 5.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6H-benzo[c]thiochromen-2-yl)aniline is sourced from PubChem (CID 165116806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).