Name: Name:2,3,4,5-tetrahydro-1-benzothiepine-7-carboxylic acid
Brand: Angene
SKU: AG01EKYM
Rating: 90 (10 reviews)

2,3,4,5-tetrahydro-1-benzothiepine-7-carboxylic acid

CAS No.:

226259-91-2

Catalog Number:

AG01EKYM

Molecular Formula:

C11H12O2S

Molecular Weight:

208.2768

Catalog Number:

AG01EKYM

Chemical Name:

2,3,4,5-tetrahydro-1-benzothiepine-7-carboxylic acid

CAS Number:

226259-91-2

Molecular Formula:

C11H12O2S

Molecular Weight:

208.2768

MDL Number:

MFCD31665780

IUPAC Name:

2,3,4,5-tetrahydro-1-benzothiepine-7-carboxylic acid

InChI:

InChI=1S/C11H12O2S/c12-11(13)9-4-5-10-8(7-9)3-1-2-6-14-10/h4-5,7H,1-3,6H2,(H,12,13)

InChI Key:

BURMFMQEVFNZHB-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc2c(c1)CCCCS2

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:

62.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7