1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate

2.1.2 InChI

InChI=1S/C6H8N2O2S/c1-3-10-6(9)5-7-4(2)8-11-5/h3H2,1-2H3

2.1.3 InChI Key

ZYVYMUYJEAVYOC-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 76162-56-6

2. 851-473-2

3. 3-methyl-[1,2,4]thiadiazole-5-carboxylic Acid Ethyl Ester

4. Mfcd22201205

5. Schembl22578954

6. Akos024262521

7. Fe58895

8. Sb38631

9. As-83311

10. Db-334155

11. Cs-0042201

12. A12831

13. En300-114880

14. Ethyl3-methyl-1,2,4-thiadiazole-5-carboxylate

15. F9995-1829

16. Z1480639443

2.3 Create Date

2006-10-27

3 Chemical and Physical Properties

Molecular Formula	C₆H₈N₂O₂S
Molecular Weight	172.21 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	80.3
Heavy Atom Count	11
Formal Charge	0
Complexity	154
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 76162-56-6