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2-(4-aminophenyl)-1??,2-thiazinane-1,1-dione

2-(4-aminophenyl)-1??,2-thiazinane-1,1-dione

CAS: 37441-49-9

Formula: C10H14N2O2S

SMILES: NC1=CC=C(C=C1)N1CCCCS1(=O)=O

IUPAC: 2-(4-aminophenyl)-1??,2-thiazinane-1,1-dione

InChI: InChI=1S/C10H14N2O2S/c11-9-3-5-10(6-4-9)12-7-1-2-8-15(12,13)14/h3-6H,1-2,7-8,11H2

Composition: C (53.08%), H (6.24%), N (12.38%), O (14.14%), S (14.17%)

Molar Mass: 226.29

Atom Count: 29

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 226.077598873
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JQNMBOVVLNFRBE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60
Topological Polar Surface Area 63.4
Polarizability 23.42
Ring Count 2
Rotatable Bond Count 1

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