Name: Name:5-methoxy-2,3,6,7-tetrahydro-1lambda6,4-thiazepine-1,1-dione
Brand: Angene
SKU: AG01B5MP
Rating: 90 (10 reviews)

5-methoxy-2,3,6,7-tetrahydro-1lambda6,4-thiazepine-1,1-dione

CAS No.:

2059937-84-5

Catalog Number:

AG01B5MP

Molecular Formula:

C6H11NO3S

Molecular Weight:

177.2214

Catalog Number:

AG01B5MP

Chemical Name:

5-methoxy-2,3,6,7-tetrahydro-1lambda6,4-thiazepine-1,1-dione

CAS Number:

2059937-84-5

Molecular Formula:

C6H11NO3S

Molecular Weight:

177.2214

MDL Number:

MFCD30486460

IUPAC Name:

5-methoxy-2,3,6,7-tetrahydro-1,4-thiazepine 1,1-dioxide

InChI:

InChI=1S/C6H11NO3S/c1-10-6-2-4-11(8,9)5-3-7-6/h2-5H2,1H3

InChI Key:

YEZRLTXFNFURLT-UHFFFAOYSA-N

SMILES:

COC1=NCCS(=O)(=O)CC1

Complexity:

250

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

177.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

177.218g/mol

Monoisotopic Mass:

177.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.9