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94123-44-1 | Naphtho[1',2':4,5]thiazolo[3,2-b][1,2,4]triazole
CAS No: 94123-44-1 Catalog No: AG006RF3 MDL No:
Product Description
Catalog Number:
AG006RF3
Chemical Name:
Naphtho[1',2':4,5]thiazolo[3,2-b][1,2,4]triazole
CAS Number:
94123-44-1
Molecular Formula:
C12H7N3S
Molecular Weight:
225.2691
IUPAC Name:
11-thia-13,15,16-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12,14-heptaene
InChI:
InChI=1S/C12H7N3S/c1-2-4-9-8(3-1)5-6-10-11(9)15-12(16-10)13-7-14-15/h1-7H
InChI Key:
CLVRWMKBEVIGEV-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1c(cc2)sc2n1ncn2
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.269g/mol
Monoisotopic Mass:
225.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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