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100589-97-7 | 1,3,4-Thiadiazole, 2,5-bis(1,1-dimethylethyl)-
CAS No: 100589-97-7 Catalog No: AG0002ED MDL No:
Product Description
Catalog Number:
AG0002ED
Chemical Name:
1,3,4-Thiadiazole, 2,5-bis(1,1-dimethylethyl)-
CAS Number:
100589-97-7
Molecular Formula:
C10H18N2S
Molecular Weight:
198.3283
IUPAC Name:
2,5-ditert-butyl-1,3,4-thiadiazole
InChI:
InChI=1S/C10H18N2S/c1-9(2,3)7-11-12-8(13-7)10(4,5)6/h1-6H3
InChI Key:
HGCNMRNCDUIGDO-UHFFFAOYSA-N
SMILES:
CC(c1nnc(s1)C(C)(C)C)(C)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.119g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.328g/mol
Monoisotopic Mass:
198.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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