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88317-57-1 | Ethanamine, N,N-dimethyl-2-[[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]thio]-
CAS No: 88317-57-1 Catalog No: AG0047RP MDL No:
Product Description
Catalog Number:
AG0047RP
Chemical Name:
Ethanamine, N,N-dimethyl-2-[[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]thio]-
CAS Number:
88317-57-1
Molecular Formula:
C11H14N4S2
Molecular Weight:
266.3857
IUPAC Name:
N,N-dimethyl-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
InChI:
InChI=1S/C11H14N4S2/c1-15(2)6-7-16-11-14-13-10(17-11)9-4-3-5-12-8-9/h3-5,8H,6-7H2,1-2H3
InChI Key:
DVJIYZXKLWUIFK-UHFFFAOYSA-N
SMILES:
CN(CCSc1nnc(s1)c1cccnc1)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.066g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.381g/mol
Monoisotopic Mass:
266.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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