Name: Name:3-(hydroxymethyl)-2,3-dihydro-1lambda6-benzothiophene-1,1-dione
Brand: Angene
SKU: AG01AMOY
Rating: 90 (10 reviews)

3-(hydroxymethyl)-2,3-dihydro-1lambda6-benzothiophene-1,1-dione

CAS No.:

1820717-83-6

Catalog Number:

AG01AMOY

Molecular Formula:

C9H10O3S

Molecular Weight:

198.2389

Catalog Number:

AG01AMOY

Chemical Name:

3-(hydroxymethyl)-2,3-dihydro-1lambda6-benzothiophene-1,1-dione

CAS Number:

1820717-83-6

Molecular Formula:

C9H10O3S

Molecular Weight:

198.2389

MDL Number:

MFCD29033970

IUPAC Name:

(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)methanol

InChI:

InChI=1S/C9H10O3S/c10-5-7-6-13(11,12)9-4-2-1-3-8(7)9/h1-4,7,10H,5-6H2

InChI Key:

MQZQIYKINZKSNS-UHFFFAOYSA-N

SMILES:

OCC1CS(=O)(=O)c2c1cccc2

Complexity:

278

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.236g/mol

Monoisotopic Mass:

198.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3