[2-[(4-methylsulfanylphenyl)methylideneamino]phenyl]-phenylmethanone

C21H17NOS — CID 23962704

IUPAC[2-[(4-methylsulfanylphenyl)methylideneamino]phenyl]-phenylmethanone
SMILESCSc1ccc(/C=N/c2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H17NOS/c1-24-18-13-11-16(12-14-18)15-22-20-10-6-5-9-19(20)21(23)17-7-3-2-4-8-17/h2-15H,1H3/b22-15+
InChIKeyFZJWODOSZZQSNP-PXLXIMEGSA-N
MW331.44 g/mol
LogP5.39
Rot. Bonds5

About [2-[(4-methylsulfanylphenyl)methylideneamino]phenyl]-phenylmethanone

[2-[(4-methylsulfanylphenyl)methylideneamino]phenyl]-phenylmethanone (PubChem CID 23962704) has the molecular formula C21H17NOS and a molecular weight of 331.44 g/mol. Its IUPAC name is [2-[(4-methylsulfanylphenyl)methylideneamino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[(4-methylsulfanylphenyl)methylideneamino]phenyl]-phenylmethanone
PubChem CID23962704
Molecular FormulaC21H17NOS
Molecular Weight331.44 g/mol
Exact Mass331.10
IUPAC Name[2-[(4-methylsulfanylphenyl)methylideneamino]phenyl]-phenylmethanone
SMILESCSc1ccc(/C=N/c2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H17NOS/c1-24-18-13-11-16(12-14-18)15-22-20-10-6-5-9-19(20)21(23)17-7-3-2-4-8-17/h2-15H,1H3/b22-15+
InChIKeyFZJWODOSZZQSNP-PXLXIMEGSA-N
XLogP5.39
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[2-(benzylideneamino)phenyl]-(4-methylphenyl)methanone
CID 5097499
2-(benzylideneamino)benzamide
CID 794805
2-[(4-fluorophenyl)methylideneamino]benzamide
CID 932011
(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
1-(2-aminophenyl)-2-[2-(benzylideneamino)phenyl]ethane-1,2-dione
CID 141258297
N-[(4-methylsulfanylphenyl)methylidene]hydroxylamine
CID 2453624
(2,3-difluorophenyl)-(4-methylsulfanylphenyl)methanone
CID 114973538
1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea
CID 807471
2-[(4-chlorophenyl)methylideneamino]-N-phenylbenzamide
CID 693562
2-(3-methylsulfanylbenzoyl)benzoic acid
CID 91655850
[5-chloro-2-[(3-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 23766024
[2-[(2-azidophenyl)methylideneamino]phenyl]-(4-bromophenyl)methanone
CID 102193953

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylsulfanylphenyl)methylideneamino]phenyl]-phenylmethanone?
The IUPAC name of [2-[(4-methylsulfanylphenyl)methylideneamino]phenyl]-phenylmethanone (CID 23962704) is [2-[(4-methylsulfanylphenyl)methylideneamino]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[(4-methylsulfanylphenyl)methylideneamino]phenyl]-phenylmethanone?
The canonical SMILES for [2-[(4-methylsulfanylphenyl)methylideneamino]phenyl]-phenylmethanone is CSc1ccc(/C=N/c2ccccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of [2-[(4-methylsulfanylphenyl)methylideneamino]phenyl]-phenylmethanone?
The InChIKey is FZJWODOSZZQSNP-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H17NOS/c1-24-18-13-11-16(12-14-18)15-22-20-10-6-5-9-19(20)21(23)17-7-3-2-4-8-17/h2-15H,1H3/b22-15+.
What are the key properties of [2-[(4-methylsulfanylphenyl)methylideneamino]phenyl]-phenylmethanone?
[2-[(4-methylsulfanylphenyl)methylideneamino]phenyl]-phenylmethanone has a molecular weight of 331.44 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylsulfanylphenyl)methylideneamino]phenyl]-phenylmethanone is sourced from PubChem (CID 23962704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).