Ils-jgb-1741
Also known as (E)-N-Benzyl-2-(((2-hydroxynaphthalen-1-yl)methylene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
Key facts
What buyers check first
- Formula
- C27H24N2O2S
- Molar mass
- 440.57 g/mol
- HS code
- 293499
- Category
- Screening compounds
What is Ils-jgb-1741?
Plain description, key identifiers and synonyms
Ils-jgb-1741 is a chemical substance with the molecular formula C27H24N2O2S and a molar mass of 440.57 g/mol. The IUPAC name is N-benzyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- N-benzyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- Molecular formula
- C27H24N2O2S
- InChIKey
- CRTIXRJWHKMWCH-UHFFFAOYSA-N
- InChI
- InChI=1S/C27H24N2O2S/c30-23-15-14-19-10-4-5-11-20(19)22(23)17-29-27-25(21-12-6-7-13-24(21)32-27)26(31)28-16-18-8-2-1-3-9-18/h1-5,8-11,14-15,17,30H,6-7,12-13,16H2,(H,28,31)
- SMILES (canonical and isomeric)
- C1CCC2=C(C1)C(=C(S2)N=CC3=C(C=CC4=CC=CC=C43)O)C(=O)NCC5=CC=CC=C5
Synonyms
- (E)-N-Benzyl-2-(((2-hydroxynaphthalen-1-yl)methylene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 440.57 g/molcalc.Computed value |
|---|---|
| Exact mass | 440.1558 Dacalc.Computed value |
| LogP (octanol/water) | 6.17calc.Computed value |
| Topological polar surface area | 61.69 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 5calc.Computed value |
| Heavy atoms | 32calc.Computed value |
| Rings | 5calc.Computed value |
| Aromatic rings | 4calc.Computed value |
| Fraction sp3 carbons | 0.19calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (1 violation)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=C(NCc1ccccc1)c1c(N=Cc2cccc3ccccc23)sc2c1CCCC2
5 rings, 31 atoms.
1 other chemical share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Ils-jgb-1741 suppliers
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Ils-jgb-1741 price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Industries and functions
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Ils-jgb-1741 is traded under.
Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934
- United States24.5%
- Germany23.1%
- Japan4.5%
The HS code shown for Ils-jgb-1741 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
![N-Benzyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide chemical structure, C27H24N2O2S, CAS 1256375-38-8](/s/CRTIXRJWHKMWCH-STBIYBPSSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![5-[2-Oxo-2-(5,6,7,8-tetrahydro-2-naphthalenyl)ethyl]-3-phenyl-2-(phenylimino)-1,3-thiazolidin-4-one chemical structure, C27H24N2O2S, CAS 368889-49-0](/s/BJKOPLOZQDQIOT-UHFFFAOYSA-N.svg)
![S-{1-[3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-phenylpropyl} ethanethioate chemical structure, C27H24N2O2S, CAS 313049-82-0](/s/NVTRBEREWPIMKL-UHFFFAOYSA-N.svg)
![4-Benzoyl-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]benzamide chemical structure, C27H24N2O2S, CAS 313646-78-5](/s/QWEHNOJLQPUNAB-UHFFFAOYSA-N.svg)
![1-(10,11-Dihydro-5H-dibenz[b,f]azepin-5-yl)-2-[(6-methoxy-3-methyl-2-quinolinyl)thio]ethanone chemical structure, C27H24N2O2S, CAS 557778-19-5](/s/FJGIUCAAVAUUAZ-UHFFFAOYSA-N.svg)
![1-(2,5-Dimethylbenzyl)-3-(4-ethylphenyl)[1]benzothieno[3,2-d]pyrimidine-2,4(1H,3H)-dione chemical structure, C27H24N2O2S, CAS 893785-85-8](/s/XAWVMWOGDNFNGI-UHFFFAOYSA-N.svg)
![4-(Benzylsulfanyl)-2-(4-ethoxyphenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidine chemical structure, C27H24N2O2S, CAS 872208-80-5](/s/RVUHTQSDZAHPKU-UHFFFAOYSA-N.svg)
![3-(3,4-Dimethylphenyl)-N-[3-(furan-2-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide chemical structure, C27H24N2O2S, CAS 1223826-33-2](/s/GDFFGFIHCNQLKQ-UHFFFAOYSA-N.svg)
![(Z)-Propyl 2-((7-benzylidene-3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate chemical structure, C27H24N2O2S, CAS 369609-72-3](/s/ACCFKNZQUIQRHI-LTGZKZEYSA-N.svg)
Frequently asked questions
Quick answers about Ils-jgb-1741, based on the data on this page
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