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91761-20-5 | 3-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)ANILINE
CAS No: 91761-20-5 Catalog No: AG01EJF7 MDL No:MFCD09261784
Product Description
Catalog Number:
AG01EJF7
Chemical Name:
3-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)ANILINE
CAS Number:
91761-20-5
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
MDL Number:
MFCD09261784
IUPAC Name:
3-(1,1-dioxothiazinan-2-yl)aniline
InChI:
InChI=1S/C10H14N2O2S/c11-9-4-3-5-10(8-9)12-6-1-2-7-15(12,13)14/h3-5,8H,1-2,6-7,11H2
InChI Key:
JTZFZDZLWRXIGV-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)N1CCCCS1(=O)=O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.078g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.294g/mol
Monoisotopic Mass:
226.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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