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Also known as: 50508-60-6, 2-amino-3-o-chlorobenzoyl-5-ethylthiophene, (2-amino-5-ethylthiophen-3-yl)-(2-chlorophenyl)methanone, 2-amino-3-(2-chlorobenzoyl)-5-ethylthiophene, Schembl9039352, Dtxsid90523879
Molecular Formula
C13H12ClNOS
Molecular Weight
265.76  g/mol
InChI Key
RFCCZAHPNNJKKR-UHFFFAOYSA-N

CAS 50508-60-6
1 2D Structure

CAS 50508-60-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2-amino-5-ethylthiophen-3-yl)-(2-chlorophenyl)methanone
2.1.2 InChI
InChI=1S/C13H12ClNOS/c1-2-8-7-10(13(15)17-8)12(16)9-5-3-4-6-11(9)14/h3-7H,2,15H2,1H3
2.1.3 InChI Key
RFCCZAHPNNJKKR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC1=CC(=C(S1)N)C(=O)C2=CC=CC=C2Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 50508-60-6

2. 2-amino-3-o-chlorobenzoyl-5-ethylthiophene

3. (2-amino-5-ethylthiophen-3-yl)-(2-chlorophenyl)methanone

4. 2-amino-3-(2-chlorobenzoyl)-5-ethylthiophene

5. Schembl9039352

6. Dtxsid90523879

7. Amy19504

8. Bcp24127

9. Zinc6555731

10. Mfcd04107940

11. Akos015891972

12. Ac-24555

13. Ds-18597

14. Cs-0061451

15. 2-amino-3-(o-chlorobenzoyl)-5-ethylthiophene

16. 3-(2-chlorobenzoyl)-5-ethylthiophen-2-amine

17. W17410

18. (2-amino-5-ethyl-3-thienyl)(2-chlorophenyl) Ketone

19. (2-amino-5-ethyl-thiophen-3-yl)-(2-chloro-phenyl)-methanone

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 265.76 g/mol
Molecular Formula C13H12ClNOS
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass265.0328129 g/mol
Monoisotopic Mass265.0328129 g/mol
Topological Polar Surface Area71.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity287
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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