Name: Name:3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
Brand: Angene
SKU: AG01A9TC
Rating: 90 (10 reviews)

3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid

CAS No.:

1103859-83-1

Catalog Number:

AG01A9TC

Molecular Formula:

C10H17NO3S

Molecular Weight:

231.3119

Catalog Number:

AG01A9TC

Chemical Name:

3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid

CAS Number:

1103859-83-1

Molecular Formula:

C10H17NO3S

Molecular Weight:

231.3119

MDL Number:

MFCD09945447

IUPAC Name:

3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid

InChI:

InChI=1S/C10H17NO3S/c1-10(2,3)4-8(12)11-6-15-5-7(11)9(13)14/h7H,4-6H2,1-3H3,(H,13,14)

InChI Key:

ZVKYKDYNVWTJKF-UHFFFAOYSA-N

SMILES:

O=C(N1CSCC1C(=O)O)CC(C)(C)C

Complexity:

272

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.093g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.31g/mol

Monoisotopic Mass:

231.093g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5