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Also known as: 898566-17-1, 2-(4-fluorophenyl)-5-(5-iodo-2-methylbenzyl)thiophene, 2-(4-fluorophenyl)-5-((5-iodo-2-methylphenyl)methyl)thiophene, Mfcd12405593, 2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl) methyl]thiophene, Ec 618-312-6
Molecular Formula
C18H14FIS
Molecular Weight
408.3  g/mol
InChI Key
MGXZKAYHSITHMW-UHFFFAOYSA-N

CAS 898566-17-1
1 2D Structure

CAS 898566-17-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene
2.1.2 InChI
InChI=1S/C18H14FIS/c1-12-2-7-16(20)10-14(12)11-17-8-9-18(21-17)13-3-5-15(19)6-4-13/h2-10H,11H2,1H3
2.1.3 InChI Key
MGXZKAYHSITHMW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=C(C=C1)I)CC2=CC=C(S2)C3=CC=C(C=C3)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 898566-17-1

2. 2-(4-fluorophenyl)-5-(5-iodo-2-methylbenzyl)thiophene

3. 2-(4-fluorophenyl)-5-((5-iodo-2-methylphenyl)methyl)thiophene

4. Mfcd12405593

5. 2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl) Methyl]thiophene

6. Ec 618-312-6

7. Schembl1585350

8. Amy4389

9. Dtxsid80672128

10. Bcp07751

11. Cs-m1890

12. Thiophene,2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]-

13. Zinc39351846

14. Akos005145830

15. Ac-5965

16. As-20008

17. Sy047875

18. Db-078530

19. Ft-0646688

20. 566f171

21. A843352

22. J-524957

23. 2-(5-iodo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene

24. 1,3,5-tri-o-acetyl-2-deoxy-

25. A-d-erythro Cpentofuranose

26. 2-(4-fluorophenyl)-5-[(5-iodanyl-2-methyl-phenyl)methyl]thiophene

27. Thiophene, 2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene

2.3 Create Date
2010-06-21
3 Chemical and Physical Properties
Molecular Weight 408.3 g/mol
Molecular Formula C18H14FIS
XLogP36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass407.98450 g/mol
Monoisotopic Mass407.98450 g/mol
Topological Polar Surface Area28.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity329
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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Virtual BoothAarti Pharmalabs is a partner of choice for APIs & Intermediates and the largest Indian manufacturer of Xanthine Derivatives.

2-(4-Fluorophenyl)-5-(5-iodo methyl phenyl) methyl...

CAS Number : 898566-17-1

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About the Company : Aarti Pharmalab, earlier the pharma division of Aarti Industries, is a leading Indian manufacturer of APIs. It has dedicated facilities to manufacture HPAPIs, corticosteroids, cytotoxic...

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Aventus Labs

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About the Company : Aventus Labs is a forward-thinking pharmaceutical company committed to developing and delivering high-quality, effective healthcare solutions. With a focus on rigorous research and adhe...

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About the Company : Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary located in National Cangzhou Lingang Economic and Technological Development Zone,Cang...

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About the Company : LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development T...

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4-Amino-3-fluorophenol

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About the Company : LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development T...

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About the Company : Nanjing Lift Pharmaceutical is a specialized company concentrating on the R&D, production, marketing and technical service of APIs, pharmaceutical intermediates and specialty chemicals....

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5-Iodo-2-methylbenzoic acid

CAS Number : 54811-38-0

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About the Company : Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into ...

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