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30760-74-8 | Thiazolo[2,3-b]thiazolium, 2,3,5,6-tetrahydro-, bromide (1:1)
CAS No: 30760-74-8 Catalog No: AG003179 MDL No:
Product Description
Catalog Number:
AG003179
Chemical Name:
Thiazolo[2,3-b]thiazolium, 2,3,5,6-tetrahydro-, bromide (1:1)
CAS Number:
30760-74-8
Molecular Formula:
C5H8BrNS2
Molecular Weight:
226.1577
IUPAC Name:
2,3,5,6-tetrahydro-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium;bromide
InChI:
InChI=1S/C5H8NS2.BrH/c1-3-7-5-6(1)2-4-8-5;/h1-4H2;1H/q+1;/p-1
InChI Key:
DXAGTNZBGKBILZ-UHFFFAOYSA-M
SMILES:
C1SC2=[N+](C1)CCS2.[Br-]
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.928g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.15g/mol
Monoisotopic Mass:
224.928g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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