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177321-63-0 | Thiazolo[5,4-d]isothiazole (9CI)
CAS No: 177321-63-0 Catalog No: AG00258L MDL No:
Product Description
Catalog Number:
AG00258L
Chemical Name:
Thiazolo[5,4-d]isothiazole (9CI)
CAS Number:
177321-63-0
Molecular Formula:
C4H2N2S2
Molecular Weight:
142.2021
IUPAC Name:
[1,2]thiazolo[5,4-d][1,3]thiazole
InChI:
InChI=1S/C4H2N2S2/c1-3-4(8-6-1)5-2-7-3/h1-2H
InChI Key:
VUMMHQYLLNYPBD-UHFFFAOYSA-N
SMILES:
c1sc2c(n1)snc2
Properties
Complexity:
98
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.966g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.194g/mol
Monoisotopic Mass:
141.966g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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