Name: Name:7-methoxy-2,3,4,5-tetrahydro-1-benzothiepin-5-one
Brand: Angene
SKU: AG01AG9K
Rating: 90 (10 reviews)

7-methoxy-2,3,4,5-tetrahydro-1-benzothiepin-5-one

CAS No.:

138610-37-4

Catalog Number:

AG01AG9K

Molecular Formula:

C11H12O2S

Molecular Weight:

208.2768

Catalog Number:

AG01AG9K

Chemical Name:

7-methoxy-2,3,4,5-tetrahydro-1-benzothiepin-5-one

CAS Number:

138610-37-4

Molecular Formula:

C11H12O2S

Molecular Weight:

208.2768

MDL Number:

MFCD11104817

IUPAC Name:

7-methoxy-3,4-dihydro-2H-1-benzothiepin-5-one

InChI:

InChI=1S/C11H12O2S/c1-13-8-4-5-11-9(7-8)10(12)3-2-6-14-11/h4-5,7H,2-3,6H2,1H3

InChI Key:

NQMVIVKNDUWBGD-UHFFFAOYSA-N

SMILES:

COc1ccc2c(c1)C(=O)CCCS2

Complexity:

217

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

208.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.275g/mol

Monoisotopic Mass:

208.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

51.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2