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927995-79-7 | 4-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)-3-METHOXYANILINE
CAS No: 927995-79-7 Catalog No: AG01EJHJ MDL No:MFCD09261782
Product Description
Catalog Number:
AG01EJHJ
Chemical Name:
4-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)-3-METHOXYANILINE
CAS Number:
927995-79-7
Molecular Formula:
C11H16N2O3S
Molecular Weight:
256.3213
MDL Number:
MFCD09261782
IUPAC Name:
4-(1,1-dioxothiazinan-2-yl)-3-methoxyaniline
InChI:
InChI=1S/C11H16N2O3S/c1-16-11-8-9(12)4-5-10(11)13-6-2-3-7-17(13,14)15/h4-5,8H,2-3,6-7,12H2,1H3
InChI Key:
CMKKKPNZLMHNBV-UHFFFAOYSA-N
SMILES:
COc1cc(N)ccc1N1CCCCS1(=O)=O
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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