Name: Name:6,6-DIMETHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLIC ACID
Brand: Angene
SKU: AG01DSVM
Rating: 90 (10 reviews)

6,6-DIMETHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLIC ACID

CAS No.:

1549141-98-1

Catalog Number:

AG01DSVM

Molecular Formula:

C11H14O2S

Molecular Weight:

210.2927

Catalog Number:

AG01DSVM

Chemical Name:

6,6-DIMETHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLIC ACID

CAS Number:

1549141-98-1

Molecular Formula:

C11H14O2S

Molecular Weight:

210.2927

MDL Number:

MFCD26026549

IUPAC Name:

6,6-dimethyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylic acid

InChI:

InChI=1S/C11H14O2S/c1-11(2)4-3-7-8(10(12)13)6-14-9(7)5-11/h6H,3-5H2,1-2H3,(H,12,13)

InChI Key:

RSDOZUAOQJDKNR-UHFFFAOYSA-N

SMILES:

OC(=O)c1csc2c1CCC(C2)(C)C

Complexity:

250

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.071g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.291g/mol

Monoisotopic Mass:

210.071g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2