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585528-63-8 | 5H-1,2,4-Triazolo[3,4-b][1,3]thiazocine(9CI)
CAS No: 585528-63-8 Catalog No: AG00EYCC MDL No:
Product Description
Catalog Number:
AG00EYCC
Chemical Name:
5H-1,2,4-Triazolo[3,4-b][1,3]thiazocine(9CI)
CAS Number:
585528-63-8
IUPAC Name:
5H-[1,2,4]triazolo[3,4-b][1,3]thiazocine
InChI:
InChI=1S/C7H7N3S/c1-2-4-10-6-8-9-7(10)11-5-3-1/h1-3,5-6H,4H2
InChI Key:
FZPBBBHWNIVEQD-UHFFFAOYSA-N
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.036g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.214g/mol
Monoisotopic Mass:
165.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.2
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