Home Other Building Blocks 1-imino-3,4-dihydro-2H-1lambda6,4-benzothiazin-1-one

1-imino-3,4-dihydro-2H-1lambda6,4-benzothiazin-1-one

CAS No.:
2137584-70-2
Catalog Number:
AG01EK5X
Molecular Formula:
C8H10N2OS
Molecular Weight:
182.2428
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Product Description
Catalog Number:
AG01EK5X
Chemical Name:
1-imino-3,4-dihydro-2H-1lambda6,4-benzothiazin-1-one
CAS Number:
2137584-70-2
Molecular Formula:
C8H10N2OS
Molecular Weight:
182.2428
MDL Number:
MFCD31457144
IUPAC Name:
1-imino-3,4-dihydro-2H-1λ6,4-benzothiazine 1-oxide
InChI:
InChI=1S/C8H10N2OS/c9-12(11)6-5-10-7-3-1-2-4-8(7)12/h1-4,9-10H,5-6H2
InChI Key:
RBNXTXAPTCRZAN-UHFFFAOYSA-N
SMILES:
N=S1(=O)CCNc2c1cccc2
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.051g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
182.241g/mol
Monoisotopic Mass:
182.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties