1 2D Structure

2D Structure

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 Formula	C₁₃H₁₂ClNOS
Molecular Weight	265.76 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	265.0328129 g/mol
Monoisotopic Mass	265.0328129 g/mol
Topological Polar Surface Area	71.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	287
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 50508-60-6