Name: Name:4-(prop-2-yn-1-yl)-1lambda6,4-thiazepane-1,1-dione
Brand: Angene
SKU: AG01AMXQ
Rating: 90 (10 reviews)

4-(prop-2-yn-1-yl)-1lambda6,4-thiazepane-1,1-dione

CAS No.:

1697444-33-9

Catalog Number:

AG01AMXQ

Molecular Formula:

C8H13NO2S

Molecular Weight:

187.2593

Catalog Number:

AG01AMXQ

Chemical Name:

4-(prop-2-yn-1-yl)-1lambda6,4-thiazepane-1,1-dione

CAS Number:

1697444-33-9

Molecular Formula:

C8H13NO2S

Molecular Weight:

187.2593

MDL Number:

MFCD29034064

IUPAC Name:

4-prop-2-ynyl-1,4-thiazepane 1,1-dioxide

InChI:

InChI=1S/C8H13NO2S/c1-2-4-9-5-3-7-12(10,11)8-6-9/h1H,3-8H2

InChI Key:

AYAVALPNGNDONI-UHFFFAOYSA-N

SMILES:

C#CCN1CCCS(=O)(=O)CC1

Complexity:

280

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

187.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

187.257g/mol

Monoisotopic Mass:

187.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1