Name: Name:4-(TERT-BUTOXYCARBONYLAMINO)-3-METHYLISOTHIAZOLE-5-CARBOXYLIC ACID
Brand: Angene
SKU: AG01DWRK
Rating: 90 (10 reviews)

4-(TERT-BUTOXYCARBONYLAMINO)-3-METHYLISOTHIAZOLE-5-CARBOXYLIC ACID

CAS No.:

876191-57-0

Catalog Number:

AG01DWRK

Molecular Formula:

C10H14N2O4S

Molecular Weight:

258.2942

Catalog Number:

AG01DWRK

Chemical Name:

4-(TERT-BUTOXYCARBONYLAMINO)-3-METHYLISOTHIAZOLE-5-CARBOXYLIC ACID

CAS Number:

876191-57-0

Molecular Formula:

C10H14N2O4S

Molecular Weight:

258.2942

MDL Number:

MFCD20926124

IUPAC Name:

3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-thiazole-5-carboxylic acid

InChI:

InChI=1S/C10H14N2O4S/c1-5-6(7(8(13)14)17-12-5)11-9(15)16-10(2,3)4/h1-4H3,(H,11,15)(H,13,14)

InChI Key:

VFOBPYOMFJEYMC-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)Nc1c(C)nsc1C(=O)O

Complexity:

316

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.292g/mol

Monoisotopic Mass:

258.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

117A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4