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19878-61-6 | 1,3,4-Thiadiazole, 2,5-bis[(1,1,3,3-tetramethylbutyl)dithio]-
CAS No: 19878-61-6 Catalog No: AG002BQV MDL No:
Product Description
Catalog Number:
AG002BQV
Chemical Name:
1,3,4-Thiadiazole, 2,5-bis[(1,1,3,3-tetramethylbutyl)dithio]-
CAS Number:
19878-61-6
Molecular Formula:
C18H34N2S5
Molecular Weight:
438.8010
IUPAC Name:
2,5-bis(2,4,4-trimethylpentan-2-yldisulfanyl)-1,3,4-thiadiazole
InChI:
InChI=1S/C18H34N2S5/c1-15(2,3)11-17(7,8)24-22-13-19-20-14(21-13)23-25-18(9,10)12-16(4,5)6/h11-12H2,1-10H3
InChI Key:
LRYZVOQZDMSPCB-UHFFFAOYSA-N
SMILES:
CC(CC(C)(C)C)(SSc1nnc(s1)SSC(CC(C)(C)C)(C)C)C
EC Number:
243-389-4
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.133g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.784g/mol
Monoisotopic Mass:
438.133g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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