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478919-85-6 | 5,8-METHANO-5H-THIAZOLO[4,5-E][1,3]DIAZEPINE
CAS No: 478919-85-6 Catalog No: AG006YNP MDL No:
Product Description
Catalog Number:
AG006YNP
Chemical Name:
5,8-METHANO-5H-THIAZOLO[4,5-E][1,3]DIAZEPINE
CAS Number:
478919-85-6
Molecular Formula:
C7H5N3S
Molecular Weight:
163.1997
IUPAC Name:
3-thia-5,8,10-triazatricyclo[6.2.1.02,6]undeca-1,4,6,9-tetraene
InChI:
InChI=1S/C7H5N3S/c1-5-7-6(9-4-11-7)2-10(1)3-8-5/h2-4H,1H2
InChI Key:
NSALSBZCMMZPCI-UHFFFAOYSA-N
SMILES:
c1nc2=CN3CC(=c2s1)N=C3
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.198g/mol
Monoisotopic Mass:
163.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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