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229343-09-3 | 1,2,4-Oxadiazole, 5-(chloromethyl)-3-[(methylthio)methyl]-
CAS No: 229343-09-3 Catalog No: AG002LKH MDL No:MFCD08691642
Product Description
Catalog Number:
AG002LKH
Chemical Name:
1,2,4-Oxadiazole, 5-(chloromethyl)-3-[(methylthio)methyl]-
CAS Number:
229343-09-3
Molecular Formula:
C5H7ClN2OS
Molecular Weight:
178.6399
MDL Number:
MFCD08691642
IUPAC Name:
5-(chloromethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C5H7ClN2OS/c1-10-3-4-7-5(2-6)9-8-4/h2-3H2,1H3
InChI Key:
PIGMOPKKZYRENN-UHFFFAOYSA-N
SMILES:
CSCc1noc(n1)CCl
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.997g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.634g/mol
Monoisotopic Mass:
177.997g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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