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2-(1,1-dioxo-1??,2-thiazinan-2-yl)benzoic acid

2-(1,1-dioxo-1??,2-thiazinan-2-yl)benzoic acid

CAS: 63170-37-6

Formula: C11H13NO4S

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

IUPAC: 2-(1,1-dioxo-1??,2-thiazinan-2-yl)benzoic acid

InChI: InChI=1S/C11H13NO4S/c13-11(14)9-5-1-2-6-10(9)12-7-3-4-8-17(12,15)16/h1-2,5-6H,3-4,7-8H2,(H,13,14)

Composition: C (51.75%), H (5.13%), N (5.49%), O (25.07%), S (12.56%)

Molar Mass: 255.29

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 255.056529077
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey TWGHPFNNZIONQR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.56
Topological Polar Surface Area 74.68
Polarizability 24.68
Ring Count 2
Rotatable Bond Count 2

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95% <2 Days 63170-37-6 Quote Only