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39222-73-6 | 5-(tert-Butyl)-1,3,4-thiadiazol-2-amine
CAS No: 39222-73-6 Catalog No: AG003GHR MDL No:MFCD00040403
Product Description
Catalog Number:
AG003GHR
Chemical Name:
5-(tert-Butyl)-1,3,4-thiadiazol-2-amine
CAS Number:
39222-73-6
Molecular Formula:
C6H11N3S
Molecular Weight:
157.2366
MDL Number:
MFCD00040403
IUPAC Name:
5-tert-butyl-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C6H11N3S/c1-6(2,3)4-8-9-5(7)10-4/h1-3H3,(H2,7,9)
InChI Key:
ICXDPEFCLDSXLI-UHFFFAOYSA-N
SMILES:
CC(c1nnc(s1)N)(C)C
EC Number:
254-364-2
UNII:
X53J1T94SN
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.067g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.235g/mol
Monoisotopic Mass:
157.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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