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113836-54-7 | 1,3,4-Thiadiazol-2-amine, 5-(trichloromethyl)-
CAS No: 113836-54-7 Catalog No: AG0009UB MDL No:
Product Description
Catalog Number:
AG0009UB
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-(trichloromethyl)-
CAS Number:
113836-54-7
Molecular Formula:
C3H2Cl3N3S
Molecular Weight:
218.4921
IUPAC Name:
5-(trichloromethyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C3H2Cl3N3S/c4-3(5,6)1-8-9-2(7)10-1/h(H2,7,9)
InChI Key:
KMICNGJJXVPIQO-UHFFFAOYSA-N
SMILES:
ClC(c1nnc(s1)N)(Cl)Cl
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.904g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.48g/mol
Monoisotopic Mass:
216.904g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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