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89620-80-4 | Thiocyanic acid, 1,2,3,4-thiatriazol-5-yl ester
CAS No: 89620-80-4 Catalog No: AG003X0D MDL No:
Product Description
Catalog Number:
AG003X0D
Chemical Name:
Thiocyanic acid, 1,2,3,4-thiatriazol-5-yl ester
CAS Number:
89620-80-4
Molecular Formula:
C2N4S2
Molecular Weight:
144.1782
IUPAC Name:
thiatriazol-5-yl thiocyanate
InChI:
InChI=1S/C2N4S2/c3-1-7-2-4-5-6-8-2
InChI Key:
YRIOURDJJMFNKD-UHFFFAOYSA-N
SMILES:
N#CSc1nnns1
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.956g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
143.956g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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