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


Chemical Name: 5-(Chloromethyl)-4-isopropyl-1,2,3-thiadiazole
CAS Number: 1060817-54-0
Product Number: AG007E4J(AGN-PC-0WAMP2)
Synonyms:
MDL No: MFCD11053980
Molecular Formula: C6H9ClN2S
Molecular Weight: 176.6671

Identification/Properties


Computed Properties
Molecular Weight:
176.662g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
176.017g/mol
Monoisotopic Mass:
176.017g/mol
Topological Polar Surface Area:
54A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
110
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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