Name: Name:4-(prop-2-ynoyl)-1lambda6-thiomorpholine-1,1-dione
Brand: Angene
SKU: AG01DZ5H
Rating: 90 (10 reviews)

4-(prop-2-ynoyl)-1lambda6-thiomorpholine-1,1-dione

CAS No.:

1856821-85-6

Catalog Number:

AG01DZ5H

Molecular Formula:

C7H9NO3S

Molecular Weight:

187.2163

Catalog Number:

AG01DZ5H

Chemical Name:

4-(prop-2-ynoyl)-1lambda6-thiomorpholine-1,1-dione

CAS Number:

1856821-85-6

Molecular Formula:

C7H9NO3S

Molecular Weight:

187.2163

MDL Number:

MFCD31616654

IUPAC Name:

1-(1,1-dioxo-1,4-thiazinan-4-yl)prop-2-yn-1-one

InChI:

InChI=1S/C7H9NO3S/c1-2-7(9)8-3-5-12(10,11)6-4-8/h1H,3-6H2

InChI Key:

BBLOOUOKIPUXND-UHFFFAOYSA-N

SMILES:

C#CC(=O)N1CCS(=O)(=O)CC1

Complexity:

315

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

187.03g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

187.213g/mol

Monoisotopic Mass:

187.03g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.6