Name: Name:6-[(difluoromethyl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-one
Brand: Angene
SKU: AG01A950
Rating: 90 (10 reviews)

6-[(difluoromethyl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-one

CAS No.:

1240528-46-4

Catalog Number:

AG01A950

Molecular Formula:

C11H10F2OS

Molecular Weight:

228.2583

Catalog Number:

AG01A950

Chemical Name:

6-[(difluoromethyl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-one

CAS Number:

1240528-46-4

Molecular Formula:

C11H10F2OS

Molecular Weight:

228.2583

MDL Number:

MFCD16547646

IUPAC Name:

6-(difluoromethylsulfanyl)-3,4-dihydro-2H-naphthalen-1-one

InChI:

InChI=1S/C11H10F2OS/c12-11(13)15-8-4-5-9-7(6-8)2-1-3-10(9)14/h4-6,11H,1-3H2

InChI Key:

WHSCSPDREHCJAH-UHFFFAOYSA-N

SMILES:

FC(Sc1ccc2c(c1)CCCC2=O)F

Complexity:

245

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.257g/mol

Monoisotopic Mass:

228.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5