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115029-47-5 | 1,2,4-Triazolidine-3-thione, 2,4,5,5-tetramethyl-
CAS No: 115029-47-5 Catalog No: AG000FQU MDL No:
Product Description
Catalog Number:
AG000FQU
Chemical Name:
1,2,4-Triazolidine-3-thione, 2,4,5,5-tetramethyl-
CAS Number:
115029-47-5
Molecular Formula:
C6H13N3S
Molecular Weight:
159.2525
IUPAC Name:
2,4,5,5-tetramethyl-1,2,4-triazolidine-3-thione
InChI:
InChI=1S/C6H13N3S/c1-6(2)7-9(4)5(10)8(6)3/h7H,1-4H3
InChI Key:
DBKIGYJIJSFQDX-UHFFFAOYSA-N
SMILES:
CN1NC(N(C1=S)C)(C)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.083g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.251g/mol
Monoisotopic Mass:
159.083g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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