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Home > Aldehydes > 615568-54-2
615568-54-2 | 3,4-dihydro-2H-1,4-benzothiazine-6-carbaldehyde
CAS No: 615568-54-2 Catalog No: AG01B15T MDL No:MFCD20668375
Product Description
Catalog Number:
AG01B15T
Chemical Name:
3,4-dihydro-2H-1,4-benzothiazine-6-carbaldehyde
CAS Number:
615568-54-2
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD20668375
IUPAC Name:
3,4-dihydro-2H-1,4-benzothiazine-6-carbaldehyde
InChI:
InChI=1S/C9H9NOS/c11-6-7-1-2-9-8(5-7)10-3-4-12-9/h1-2,5-6,10H,3-4H2
InChI Key:
TUVZNNYNOBQWNP-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)NCCS2
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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