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130116-16-4 | Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 5-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1,3,4-thiadiazole-2(3H)-thione (1:1)
CAS No: 130116-16-4 Catalog No: AG000U1B MDL No:
Product Description
Catalog Number:
AG000U1B
Chemical Name:
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 5-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1,3,4-thiadiazole-2(3H)-thione (1:1)
CAS Number:
130116-16-4
IUPAC Name:
5-(3,5-ditert-butyl-4-hydroxyphenyl)-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C16H22N2OS2/c1-15(2,3)10-7-9(13-17-18-14(20)21-13)8-11(12(10)19)16(4,5)6/h7-8,19H,1-6H3,(H,18,20)
InChI Key:
MYNMGQGXYYHMEX-UHFFFAOYSA-N
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.117g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.485g/mol
Monoisotopic Mass:
322.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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