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927995-87-7 | 3-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)-4-METHOXYANILINE
CAS No: 927995-87-7 Catalog No: AG01EJJA MDL No:MFCD09261787
Product Description
Catalog Number:
AG01EJJA
Chemical Name:
3-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)-4-METHOXYANILINE
CAS Number:
927995-87-7
Molecular Formula:
C11H16N2O3S
Molecular Weight:
256.3213
MDL Number:
MFCD09261787
IUPAC Name:
3-(1,1-dioxothiazinan-2-yl)-4-methoxyaniline
InChI:
InChI=1S/C11H16N2O3S/c1-16-11-5-4-9(12)8-10(11)13-6-2-3-7-17(13,14)15/h4-5,8H,2-3,6-7,12H2,1H3
InChI Key:
UGERPWCSDOTZDH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1N1CCCCS1(=O)=O)N
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.088g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.32g/mol
Monoisotopic Mass:
256.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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