Name: Name:5,5-dimethyl-4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid
Brand: Angene
SKU: AG01A9O8
Rating: 90 (10 reviews)

5,5-dimethyl-4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid

CAS No.:

1038304-09-4

Catalog Number:

AG01A9O8

Molecular Formula:

C15H14O2S

Molecular Weight:

258.3355

Catalog Number:

AG01A9O8

Chemical Name:

5,5-dimethyl-4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid

CAS Number:

1038304-09-4

Molecular Formula:

C15H14O2S

Molecular Weight:

258.3355

MDL Number:

MFCD11542782

IUPAC Name:

5,5-dimethyl-4H-benzo[g][1]benzothiole-2-carboxylic acid

InChI:

InChI=1S/C15H14O2S/c1-15(2)8-9-7-12(14(16)17)18-13(9)10-5-3-4-6-11(10)15/h3-7H,8H2,1-2H3,(H,16,17)

InChI Key:

PTOBLWZWMMBLGH-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc2c(s1)c1ccccc1C(C2)(C)C

Complexity:

352

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.071g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.335g/mol

Monoisotopic Mass:

258.071g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3