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159407-93-9 | 2H-Thiazolo[4,5-b]azepine(9CI)
CAS No: 159407-93-9 Catalog No: AG007DN1 MDL No:
Product Description
Catalog Number:
AG007DN1
Chemical Name:
2H-Thiazolo[4,5-b]azepine(9CI)
CAS Number:
159407-93-9
Molecular Formula:
C7H6N2S
Molecular Weight:
150.2009
IUPAC Name:
2H-[1,3]thiazolo[4,5-b]azepine
InChI:
InChI=1S/C7H6N2S/c1-2-4-8-7-6(3-1)10-5-9-7/h1-4H,5H2
InChI Key:
HJLAKCZAXBGYHW-UHFFFAOYSA-N
SMILES:
C1=CC=C2C(=NCS2)N=C1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.199g/mol
Monoisotopic Mass:
150.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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