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145163-40-2 | 1,3,4-Oxadiazole-2(3H)-thione, 5-[(diethylamino)methyl]-
CAS No: 145163-40-2 Catalog No: AG001KMT MDL No:
Product Description
Catalog Number:
AG001KMT
Chemical Name:
1,3,4-Oxadiazole-2(3H)-thione, 5-[(diethylamino)methyl]-
CAS Number:
145163-40-2
Molecular Formula:
C7H13N3OS
Molecular Weight:
187.2626
IUPAC Name:
5-(diethylaminomethyl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C7H13N3OS/c1-3-10(4-2)5-6-8-9-7(12)11-6/h3-5H2,1-2H3,(H,9,12)
InChI Key:
NMSBCRKBGPIAFQ-UHFFFAOYSA-N
SMILES:
CCN(Cc1n[nH]c(=S)o1)CC
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.078g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.261g/mol
Monoisotopic Mass:
187.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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