4-(prop-2-yn-1-yl)-1??-thiomorpholine-1,1-dione

4-(prop-2-yn-1-yl)-1??-thiomorpholine-1,1-dione

CAS: 10442-03-2

Formula: C7H11NO2S

SMILES: O=S1(=O)CCN(CC#C)CC1

IUPAC: 4-(prop-2-yn-1-yl)-1??-thiomorpholine-1,1-dione

InChI: InChI=1S/C7H11NO2S/c1-2-3-8-4-6-11(9,10)7-5-8/h1H,3-7H2

Composition: C (48.53%), H (6.40%), N (8.09%), O (18.47%), S (18.51%)

Molar Mass: 173.23

Atom Count: 22

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	173.051049772
Formal Charge	0
FSP3	0.71
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CZBZIZOYSYHBNM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.17
Topological Polar Surface Area	37.38
Polarizability	17.53
Ring Count	1
Rotatable Bond Count	1

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