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

5-(chloromethyl)-4-isopropyl-1,2,3-thiadiazole

CAS No.:
1060817-54-0
Catalog Number:
AG007E4J
Molecular Formula:
C6H9ClN2S
Molecular Weight:
176.6671
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Product Description
Catalog Number:
AG007E4J
Chemical Name:
5-(chloromethyl)-4-isopropyl-1,2,3-thiadiazole
CAS Number:
1060817-54-0
Molecular Formula:
C6H9ClN2S
Molecular Weight:
176.6671
MDL Number:
MFCD11053980
IUPAC Name:
5-(chloromethyl)-4-propan-2-ylthiadiazole
InChI:
InChI=1S/C6H9ClN2S/c1-4(2)6-5(3-7)10-9-8-6/h4H,3H2,1-2H3
InChI Key:
JNDHFJBHXNJEER-UHFFFAOYSA-N
SMILES:
ClCc1snnc1C(C)C
Properties
Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.017g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.662g/mol
Monoisotopic Mass:
176.017g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties