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113657-09-3 | 1,3,4-Oxadiazole-2(3H)-thione, 5-[2-(dimethylamino)ethyl]-
CAS No: 113657-09-3 Catalog No: AG000982 MDL No:
Product Description
Catalog Number:
AG000982
Chemical Name:
1,3,4-Oxadiazole-2(3H)-thione, 5-[2-(dimethylamino)ethyl]-
CAS Number:
113657-09-3
Molecular Formula:
C6H11N3OS
Molecular Weight:
173.2360
IUPAC Name:
5-[2-(dimethylamino)ethyl]-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C6H11N3OS/c1-9(2)4-3-5-7-8-6(11)10-5/h3-4H2,1-2H3,(H,8,11)
InChI Key:
OLMCLAKNASWDPO-UHFFFAOYSA-N
SMILES:
CN(CCc1n[nH]c(=S)o1)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.062g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.234g/mol
Monoisotopic Mass:
173.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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