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252-01-7 | Thiazolo[3,2-d]tetrazole
CAS No: 252-01-7 Catalog No: AG002QVD MDL No:
Product Description
Catalog Number:
AG002QVD
Chemical Name:
Thiazolo[3,2-d]tetrazole
CAS Number:
252-01-7
Molecular Formula:
C3H2N4S
Molecular Weight:
126.1398
IUPAC Name:
[1,3]thiazolo[2,3-e]tetrazole
InChI:
InChI=1S/C3H2N4S/c1-2-8-3-4-5-6-7(1)3/h1-2H
InChI Key:
NAKMOOWCQQCODZ-UHFFFAOYSA-N
SMILES:
c1cn2c(s1)nnn2
Properties
Complexity:
97.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.137g/mol
Monoisotopic Mass:
126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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