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150950-33-7 | 2H-Thiazolo[4,5-d][1,3]diazepine (9CI)
CAS No: 150950-33-7 Catalog No: AG001MYK MDL No:MFCD18815170
Product Description
Catalog Number:
AG001MYK
Chemical Name:
2H-Thiazolo[4,5-d][1,3]diazepine (9CI)
CAS Number:
150950-33-7
Molecular Formula:
C6H5N3S
Molecular Weight:
151.1890
MDL Number:
MFCD18815170
IUPAC Name:
2H-[1,3]thiazolo[4,5-d][1,3]diazepine
InChI:
InChI=1S/C6H5N3S/c1-2-7-3-8-6-5(1)10-4-9-6/h1-3H,4H2
InChI Key:
CWSXTNODVVPKOU-UHFFFAOYSA-N
SMILES:
N1=CC=C2C(=NCS2)N=C1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.187g/mol
Monoisotopic Mass:
151.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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