bis[2-(4-aminophenyl)sulfanylphenyl]methanone

C25H20N2OS2 — CID 67895042

IUPACbis[2-(4-aminophenyl)sulfanylphenyl]methanone
SMILESNc1ccc(Sc2ccccc2C(=O)c2ccccc2Sc2ccc(N)cc2)cc1
InChIInChI=1S/C25H20N2OS2/c26-17-9-13-19(14-10-17)29-23-7-3-1-5-21(23)25(28)22-6-2-4-8-24(22)30-20-15-11-18(27)12-16-20/h1-16H,26-27H2
InChIKeySLLLDNHBWYKRSX-UHFFFAOYSA-N
MW428.58 g/mol
LogP6.38
Rot. Bonds6

About bis[2-(4-aminophenyl)sulfanylphenyl]methanone

bis[2-(4-aminophenyl)sulfanylphenyl]methanone (PubChem CID 67895042) has the molecular formula C25H20N2OS2 and a molecular weight of 428.58 g/mol. Its IUPAC name is bis[2-(4-aminophenyl)sulfanylphenyl]methanone.

Molecular Properties

Compound Namebis[2-(4-aminophenyl)sulfanylphenyl]methanone
PubChem CID67895042
Molecular FormulaC25H20N2OS2
Molecular Weight428.58 g/mol
Exact Mass428.10
IUPAC Namebis[2-(4-aminophenyl)sulfanylphenyl]methanone
SMILESNc1ccc(Sc2ccccc2C(=O)c2ccccc2Sc2ccc(N)cc2)cc1
InChIInChI=1S/C25H20N2OS2/c26-17-9-13-19(14-10-17)29-23-7-3-1-5-21(23)25(28)22-6-2-4-8-24(22)30-20-15-11-18(27)12-16-20/h1-16H,26-27H2
InChIKeySLLLDNHBWYKRSX-UHFFFAOYSA-N
XLogP6.38
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminophenyl)sulfanylbenzene-1,3-dicarboxylic acid
CID 91879999
[2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone
CID 157369619
2-[4-(4-aminophenyl)sulfanylphenyl]sulfanylaniline
CID 142730597
2-amino-3-phenylsulfanylbenzoic acid
CID 115547407
2-(4-fluorophenyl)sulfanylbenzoic acid
CID 14418768
N-(4-amino-2-methylpyrimidin-5-yl)-2-(4-aminophenyl)sulfanyl-N-methylbenzamide
CID 139913870
1-[5-amino-2-(4-chlorophenyl)sulfanylphenyl]ethanone
CID 91875788
bis[2-[4-(2-methylphenyl)sulfanylphenyl]phenyl]methanone
CID 154135705
4-(4-aminophenyl)sulfanylaniline
CID 8765
4-(2-ethoxyphenyl)sulfanylaniline
CID 70586247
2-(4-acetylphenyl)sulfanylbenzoic acid
CID 43627891
3-amino-4-(4-aminophenyl)sulfanylbenzoic acid
CID 91880002

Frequently Asked Questions

What is the IUPAC name of bis[2-(4-aminophenyl)sulfanylphenyl]methanone?
The IUPAC name of bis[2-(4-aminophenyl)sulfanylphenyl]methanone (CID 67895042) is bis[2-(4-aminophenyl)sulfanylphenyl]methanone.
What is the SMILES notation for bis[2-(4-aminophenyl)sulfanylphenyl]methanone?
The canonical SMILES for bis[2-(4-aminophenyl)sulfanylphenyl]methanone is Nc1ccc(Sc2ccccc2C(=O)c2ccccc2Sc2ccc(N)cc2)cc1.
What is the InChIKey of bis[2-(4-aminophenyl)sulfanylphenyl]methanone?
The InChIKey is SLLLDNHBWYKRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2OS2/c26-17-9-13-19(14-10-17)29-23-7-3-1-5-21(23)25(28)22-6-2-4-8-24(22)30-20-15-11-18(27)12-16-20/h1-16H,26-27H2.
What are the key properties of bis[2-(4-aminophenyl)sulfanylphenyl]methanone?
bis[2-(4-aminophenyl)sulfanylphenyl]methanone has a molecular weight of 428.58 g/mol, XLogP of 6.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(4-aminophenyl)sulfanylphenyl]methanone is sourced from PubChem (CID 67895042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).