Home Halogens Benzothiazole, 2-(chloromethyl)-5-methyl- (7CI,8CI,9CI)

Benzothiazole, 2-(chloromethyl)-5-methyl- (7CI,8CI,9CI)

CAS No.:
5717-91-9
Catalog Number:
AG00EFDO
Molecular Formula:
C9H8ClNS
Molecular Weight:
197.6845
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Product Description
Catalog Number:
AG00EFDO
Chemical Name:
Benzothiazole, 2-(chloromethyl)-5-methyl- (7CI,8CI,9CI)
CAS Number:
5717-91-9
Molecular Formula:
C9H8ClNS
Molecular Weight:
197.6845
MDL Number:
MFCD11217418
IUPAC Name:
2-(chloromethyl)-5-methyl-1,3-benzothiazole
InChI:
InChI=1S/C9H8ClNS/c1-6-2-3-8-7(4-6)11-9(5-10)12-8/h2-4H,5H2,1H3
InChI Key:
JTAKLGFADWCFCL-UHFFFAOYSA-N
SMILES:
ClCc1nc2c(s1)ccc(c2)C
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.007g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.68g/mol
Monoisotopic Mass:
197.007g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties