Name: Name:5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid, 2-bromo-4,6-dihydro-,1,1-dimethylethyl ester
Brand: Angene
SKU: AG00I793
Rating: 90 (10 reviews)

5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid, 2-bromo-4,6-dihydro-,1,1-dimethylethyl ester

CAS No.:

365996-63-0

Catalog Number:

AG00I793

Molecular Formula:

C10H13BrN2O2S

Molecular Weight:

305.1914

Catalog Number:

AG00I793

Chemical Name:

5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid, 2-bromo-4,6-dihydro-,1,1-dimethylethyl ester

CAS Number:

365996-63-0

Molecular Formula:

C10H13BrN2O2S

Molecular Weight:

305.1914

MDL Number:

MFCD23378428

IUPAC Name:

tert-butyl 2-bromo-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-5-carboxylate

InChI:

InChI=1S/C10H13BrN2O2S/c1-10(2,3)15-9(14)13-4-6-7(5-13)16-8(11)12-6/h4-5H2,1-3H3

InChI Key:

CDSSEIKIKLGYMP-UHFFFAOYSA-N

SMILES:

Brc1sc2c(n1)CN(C2)C(=O)OC(C)(C)C

Complexity:

295

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

303.988g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

305.19g/mol

Monoisotopic Mass:

303.988g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3