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1351645-69-6 | N-(3-Allyl-2-imino-2,3-dihydrobenzo[d]thiazol-6-yl)acetamide hydrobromide
CAS No: 1351645-69-6 Catalog No: AG01FMZD MDL No:MFCD22587724
Product Description
Catalog Number:
AG01FMZD
Chemical Name:
N-(3-Allyl-2-imino-2,3-dihydrobenzo[d]thiazol-6-yl)acetamide hydrobromide
CAS Number:
1351645-69-6
Molecular Formula:
C12H14BrN3OS
Molecular Weight:
328.2281
MDL Number:
MFCD22587724
IUPAC Name:
N-(2-imino-3-prop-2-enyl-1,3-benzothiazol-6-yl)acetamide;hydrobromide
InChI:
InChI=1S/C12H13N3OS.BrH/c1-3-6-15-10-5-4-9(14-8(2)16)7-11(10)17-12(15)13;/h3-5,7,13H,1,6H2,2H3,(H,14,16);1H
InChI Key:
KCRYMOUWVLMMAO-UHFFFAOYSA-N
SMILES:
C=CCn1c(=N)sc2c1ccc(c2)NC(=O)C.Br
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.004g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
328.228g/mol
Monoisotopic Mass:
327.004g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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