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254757-43-2 | 4H-Imidazo[1,5,4-ef][1,5]benzothiazepine(9CI)
CAS No: 254757-43-2 Catalog No: AG006UAF MDL No:
Product Description
Catalog Number:
AG006UAF
Chemical Name:
4H-Imidazo[1,5,4-ef][1,5]benzothiazepine(9CI)
CAS Number:
254757-43-2
Molecular Formula:
C10H8N2S
Molecular Weight:
188.2489
IUPAC Name:
9-thia-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,11-pentaene
InChI:
InChI=1S/C10H8N2S/c1-3-8-10-9(4-1)13-6-2-5-12(10)7-11-8/h1-5,7H,6H2
InChI Key:
YWVIAPBSNGHNLN-UHFFFAOYSA-N
SMILES:
C1C=Cn2c3c(S1)cccc3nc2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.248g/mol
Monoisotopic Mass:
188.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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