3-{[(furan-2-yl)methyl]amino}-1??-thiolane-1,1-dione

3-{[(furan-2-yl)methyl]amino}-1??-thiolane-1,1-dione

CAS: 727982-72-1

Formula: C9H13NO3S

SMILES: O=S1(=O)CCC(C1)NCC1=CC=CO1

IUPAC: 3-{[(furan-2-yl)methyl]amino}-1??-thiolane-1,1-dione

InChI: InChI=1/C9H13NO3S/c11-14(12)5-3-8(7-14)10-6-9-2-1-4-13-9/h1-2,4,8,10H,3,5-7H2

Composition: C (50.22%), H (6.09%), N (6.51%), O (22.30%), S (14.89%)

Molar Mass: 215.27

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	215.061614457
Formal Charge	0
FSP3	0.56
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WILIKDWKYRCXHR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.25
Topological Polar Surface Area	59.31
Polarizability	21.42
Ring Count	2
Rotatable Bond Count	3

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