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265-06-5

265-06-5 | 3,1,5-Benzothiadiazepine (9CI)

CAS No: 265-06-5 Catalog No: AG002THD MDL No:

Product Description

Catalog Number:
AG002THD
Chemical Name:
3,1,5-Benzothiadiazepine (9CI)
CAS Number:
265-06-5
Molecular Formula:
C8H6N2S
Molecular Weight:
162.2116
IUPAC Name:
3,1,5-benzothiadiazepine
InChI:
InChI=1S/C8H6N2S/c1-2-4-8-7(3-1)9-5-11-6-10-8/h1-6H
InChI Key:
WQAVYNTYZRXINS-UHFFFAOYSA-N
SMILES:
S1C=Nc2c(N=C1)cccc2

Properties

Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.025g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.21g/mol
Monoisotopic Mass:
162.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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