Name: Name:ethyl 2-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate
Brand: Angene
SKU: AG01B5QT
Rating: 90 (10 reviews)

ethyl 2-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate

CAS No.:

57001-10-2

Catalog Number:

AG01B5QT

Molecular Formula:

C10H13NO3S

Molecular Weight:

227.2801

Catalog Number:

AG01B5QT

Chemical Name:

ethyl 2-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate

CAS Number:

57001-10-2

Molecular Formula:

C10H13NO3S

Molecular Weight:

227.2801

MDL Number:

MFCD26855440

IUPAC Name:

ethyl 2-oxo-4,5,6,7-tetrahydro-3H-1,3-benzothiazole-4-carboxylate

InChI:

InChI=1S/C10H13NO3S/c1-2-14-9(12)6-4-3-5-7-8(6)11-10(13)15-7/h6H,2-5H2,1H3,(H,11,13)

InChI Key:

WRGMQNGMHXEMAK-UHFFFAOYSA-N

SMILES:

CCOC(=O)C1CCCc2c1nc(s2)O

Complexity:

338

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.278g/mol

Monoisotopic Mass:

227.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2