Name: Name:2-tert-butyl 8-methyl 5-thia-2-azaspiro[3.4]octane-2,8-dicarboxylate
Brand: Angene
SKU: AG01DJ0D
Rating: 90 (10 reviews)

2-tert-butyl 8-methyl 5-thia-2-azaspiro[3.4]octane-2,8-dicarboxylate

CAS No.:

1823264-51-2

Catalog Number:

AG01DJ0D

Molecular Formula:

C13H21NO4S

Molecular Weight:

287.3751

Catalog Number:

AG01DJ0D

Chemical Name:

2-tert-butyl 8-methyl 5-thia-2-azaspiro[3.4]octane-2,8-dicarboxylate

CAS Number:

1823264-51-2

Molecular Formula:

C13H21NO4S

Molecular Weight:

287.3751

MDL Number:

MFCD22479162

IUPAC Name:

2-O-tert-butyl 8-O-methyl 5-thia-2-azaspiro[3.4]octane-2,8-dicarboxylate

InChI:

InChI=1S/C13H21NO4S/c1-12(2,3)18-11(16)14-7-13(8-14)9(5-6-19-13)10(15)17-4/h9H,5-8H2,1-4H3

InChI Key:

KYXIKMLKKOXNGZ-UHFFFAOYSA-N

SMILES:

COC(=O)C1CCSC21CN(C2)C(=O)OC(C)(C)C

Complexity:

385

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

287.119g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

287.374g/mol

Monoisotopic Mass:

287.119g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4