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Home > Thiazole > 1820586-18-2
1820586-18-2 | 3-ALLYL-6,7-DIHYDRO-[1,4]DIOXINO[2',3':4,5]BENZO[1,2-D]THIAZOL-2(3H)-IMIN+
CAS No: 1820586-18-2 Catalog No: AG01AS28 MDL No:MFCD26940489
Product Description
Catalog Number:
AG01AS28
Chemical Name:
3-ALLYL-6,7-DIHYDRO-[1,4]DIOXINO[2',3':4,5]BENZO[1,2-D]THIAZOL-2(3H)-IMIN+
CAS Number:
1820586-18-2
Molecular Formula:
C12H13BrN2O2S
Molecular Weight:
329.2128
MDL Number:
MFCD26940489
IUPAC Name:
3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-imine;hydrobromide
InChI:
InChI=1S/C12H12N2O2S.BrH/c1-2-3-14-8-6-9-10(16-5-4-15-9)7-11(8)17-12(14)13;/h2,6-7,13H,1,3-5H2;1H
InChI Key:
INFOAMPIWWLJPP-UHFFFAOYSA-N
SMILES:
C=CCn1c(=N)sc2c1cc1OCCOc1c2.Br
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.988g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.212g/mol
Monoisotopic Mass:
327.988g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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