Name: Name:methyl 4H,5H,6H,7H,8H-[1,3]thiazolo[5,4-b]azepine-2-carboxylate
Brand: Angene
SKU: AG01EHTO
Rating: 90 (10 reviews)

methyl 4H,5H,6H,7H,8H-[1,3]thiazolo[5,4-b]azepine-2-carboxylate

CAS No.:

128069-60-3

Catalog Number:

AG01EHTO

Molecular Formula:

C9H12N2O2S

Molecular Weight:

212.2688

Catalog Number:

AG01EHTO

Chemical Name:

methyl 4H,5H,6H,7H,8H-[1,3]thiazolo[5,4-b]azepine-2-carboxylate

CAS Number:

128069-60-3

Molecular Formula:

C9H12N2O2S

Molecular Weight:

212.2688

MDL Number:

MFCD24391108

IUPAC Name:

methyl 5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-b]azepine-2-carboxylate

InChI:

InChI=1S/C9H12N2O2S/c1-13-9(12)8-11-6-4-2-3-5-10-7(6)14-8/h10H,2-5H2,1H3

InChI Key:

NPTNZDAKRVZNDU-UHFFFAOYSA-N

SMILES:

COC(=O)c1nc2c(s1)NCCCC2

Complexity:

225

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

212.267g/mol

Monoisotopic Mass:

212.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2