Name: Name:5-hydroxy-7-methyl-2H-1,3-benzoxathiol-2-one
Brand: Angene
SKU: AG01BTOZ
Rating: 90 (10 reviews)

5-hydroxy-7-methyl-2H-1,3-benzoxathiol-2-one

CAS No.:

17631-00-4

Catalog Number:

AG01BTOZ

Molecular Formula:

C8H6O3S

Molecular Weight:

182.1964

Catalog Number:

AG01BTOZ

Chemical Name:

5-hydroxy-7-methyl-2H-1,3-benzoxathiol-2-one

CAS Number:

17631-00-4

Molecular Formula:

C8H6O3S

Molecular Weight:

182.1964

MDL Number:

MFCD22482985

IUPAC Name:

5-hydroxy-7-methyl-1,3-benzoxathiol-2-one

InChI:

InChI=1S/C8H6O3S/c1-4-2-5(9)3-6-7(4)11-8(10)12-6/h2-3,9H,1H3

InChI Key:

DLJLTTCYUKKPIK-UHFFFAOYSA-N

SMILES:

Cc1cc(O)cc2c1oc(=O)s2

Complexity:

207

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.004g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.193g/mol

Monoisotopic Mass:

182.004g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5