3-amino-2,3-dihydro-1??-thiophene-1,1-dione

3-amino-2,3-dihydro-1??-thiophene-1,1-dione

CAS: 56275-95-7

Formula: C4H7NO2S

SMILES: NC1CS(=O)(=O)C=C1

IUPAC: 3-amino-2,3-dihydro-1??-thiophene-1,1-dione

InChI: InChI=1/C4H7NO2S/c5-4-1-2-8(6,7)3-4/h1-2,4H,3,5H2

Composition: C (36.08%), H (5.30%), N (10.52%), O (24.03%), S (24.08%)

Molar Mass: 133.17

Atom Count: 15

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	133.019749643
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YQYVLIKFODWGAV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	30.38
Topological Polar Surface Area	60.16
Polarizability	12.87
Ring Count	1
Rotatable Bond Count	0

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