Name: Name:1-methyl-1-oxo-1,2-thiazine-4-carboxylic acid
Brand: Angene
SKU: AG01A6VM
Rating: 90 (10 reviews)

1-methyl-1-oxo-1,2-thiazine-4-carboxylic acid

CAS No.:

88628-87-9

Catalog Number:

AG01A6VM

Molecular Formula:

C6H7NO3S

Molecular Weight:

173.1897

Catalog Number:

AG01A6VM

Chemical Name:

1-methyl-1-oxo-1,2-thiazine-4-carboxylic acid

CAS Number:

88628-87-9

Molecular Formula:

C6H7NO3S

Molecular Weight:

173.1897

MDL Number:

MFCD20641736

IUPAC Name:

1-methyl-1-oxo-1λ6-thia-2-azacyclohexa-1,3,5-triene-4-carboxylic acid

InChI:

InChI=1S/C6H7NO3S/c1-11(10)3-2-5(4-7-11)6(8)9/h2-4H,1H3,(H,8,9)

InChI Key:

PGGRSXMFTLBAPL-UHFFFAOYSA-N

SMILES:

OC(=O)C1=CN=S(=O)(C=C1)C

Complexity:

358

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

173.015g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

173.186g/mol

Monoisotopic Mass:

173.015g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3