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927995-83-3 | 3-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)-4-METHYLANILINE
CAS No: 927995-83-3 Catalog No: AG01EJGR MDL No:MFCD09261785
Product Description
Catalog Number:
AG01EJGR
Chemical Name:
3-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)-4-METHYLANILINE
CAS Number:
927995-83-3
Molecular Formula:
C11H16N2O2S
Molecular Weight:
240.3219
MDL Number:
MFCD09261785
IUPAC Name:
3-(1,1-dioxothiazinan-2-yl)-4-methylaniline
InChI:
InChI=1S/C11H16N2O2S/c1-9-4-5-10(12)8-11(9)13-6-2-3-7-16(13,14)15/h4-5,8H,2-3,6-7,12H2,1H3
InChI Key:
CZVVSKKWSIWPPJ-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)N1CCCCS1(=O)=O)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.093g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.321g/mol
Monoisotopic Mass:
240.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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