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591749-66-5 | 6H-[1,2,4]Triazino[5,4-c][1,4]thiazepine(9CI)
CAS No: 591749-66-5 Catalog No: AG00EYC0 MDL No:
Product Description
Catalog Number:
AG00EYC0
Chemical Name:
6H-[1,2,4]Triazino[5,4-c][1,4]thiazepine(9CI)
CAS Number:
591749-66-5
IUPAC Name:
6H-[1,2,4]triazino[5,4-c][1,4]thiazepine
InChI:
InChI=1S/C7H7N3S/c1-2-10-6-9-8-4-7(10)5-11-3-1/h1,3-6H,2H2
InChI Key:
BSQMHVQIXGZJOG-UHFFFAOYSA-N
Properties
Complexity:
265
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:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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