Home Halogens 2-butyl-4-(chloromethyl)-1,3-thiazole

2-butyl-4-(chloromethyl)-1,3-thiazole

CAS No.:
113264-15-6
Catalog Number:
AG019MZ9
Molecular Formula:
C8H12ClNS
Molecular Weight:
189.7056
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Product Description
Catalog Number:
AG019MZ9
Chemical Name:
2-butyl-4-(chloromethyl)-1,3-thiazole
CAS Number:
113264-15-6
Molecular Formula:
C8H12ClNS
Molecular Weight:
189.7056
MDL Number:
MFCD11099606
IUPAC Name:
2-butyl-4-(chloromethyl)-1,3-thiazole
InChI:
InChI=1S/C8H12ClNS/c1-2-3-4-8-10-7(5-9)6-11-8/h6H,2-5H2,1H3
InChI Key:
CSDYVSFANGSMQG-UHFFFAOYSA-N
SMILES:
CCCCc1scc(n1)CCl
Properties
Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.038g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.701g/mol
Monoisotopic Mass:
189.038g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties