2,5-dioxopyrrolidin-1-yl 3-(acetylsulfanyl)propanoate

2,5-dioxopyrrolidin-1-yl 3-(acetylsulfanyl)propanoate

CAS: 84271-78-3

Formula: C9H11NO5S

SMILES: CC(=O)SCCC(=O)ON1C(=O)CCC1=O

IUPAC: 2,5-dioxopyrrolidin-1-yl 3-(acetylsulfanyl)propanoate

InChI: InChI=1S/C9H11NO5S/c1-6(11)16-5-4-9(14)15-10-7(12)2-3-8(10)13/h2-5H2,1H3

Composition: C (44.08%), H (4.52%), N (5.71%), O (32.62%), S (13.07%)

Molar Mass: 245.25

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	245.035793632
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ZRTJVRDXVSDKPX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.1
Topological Polar Surface Area	80.75
Polarizability	22
Ring Count	1
Rotatable Bond Count	6

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