Name: Name:2H-1-Benzothiopyran-6-carboxylic acid, 3,4-dihydro-
Brand: Angene
SKU: AG0081XP
Rating: 90 (10 reviews)

2H-1-Benzothiopyran-6-carboxylic acid, 3,4-dihydro-

CAS No.:

112669-50-8

Catalog Number:

AG0081XP

Molecular Formula:

C10H10O2S

Molecular Weight:

194.2502

Catalog Number:

AG0081XP

Chemical Name:

2H-1-Benzothiopyran-6-carboxylic acid, 3,4-dihydro-

CAS Number:

112669-50-8

Molecular Formula:

C10H10O2S

Molecular Weight:

194.2502

MDL Number:

MFCD20642276

IUPAC Name:

3,4-dihydro-2H-thiochromene-6-carboxylic acid

InChI:

InChI=1S/C10H10O2S/c11-10(12)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6H,1-2,5H2,(H,11,12)

InChI Key:

PHVOWSWKOIJFSV-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc2c(c1)CCCS2

Complexity:

205

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

194.04g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

194.248g/mol

Monoisotopic Mass:

194.04g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4