Home Halogens ethyl 3-(chloromethyl)-1,2,4-thiadiazole-5-carboxylate

ethyl 3-(chloromethyl)-1,2,4-thiadiazole-5-carboxylate

CAS No.:
1211571-26-4
Catalog Number:
AG01BJE7
Molecular Formula:
C6H7ClN2O2S
Molecular Weight:
206.6500
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Product Description
Catalog Number:
AG01BJE7
Chemical Name:
ethyl 3-(chloromethyl)-1,2,4-thiadiazole-5-carboxylate
CAS Number:
1211571-26-4
Molecular Formula:
C6H7ClN2O2S
Molecular Weight:
206.6500
MDL Number:
MFCD24460912
IUPAC Name:
ethyl 3-(chloromethyl)-1,2,4-thiadiazole-5-carboxylate
InChI:
InChI=1S/C6H7ClN2O2S/c1-2-11-6(10)5-8-4(3-7)9-12-5/h2-3H2,1H3
InChI Key:
YLXKAALCBLVOCL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1snc(n1)CCl
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.992g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.644g/mol
Monoisotopic Mass:
205.992g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties