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1430932-52-7 | 6-(Chloromethyl)-2-(methylthio)benzothiazole
CAS No: 1430932-52-7 Catalog No: AG01FAO5 MDL No:
Product Description
Catalog Number:
AG01FAO5
Chemical Name:
6-(Chloromethyl)-2-(methylthio)benzothiazole
CAS Number:
1430932-52-7
Molecular Formula:
C9H8ClNS2
Molecular Weight:
229.7495
IUPAC Name:
6-(chloromethyl)-2-methylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C9H8ClNS2/c1-12-9-11-7-3-2-6(5-10)4-8(7)13-9/h2-4H,5H2,1H3
InChI Key:
SKUIIRDOHFVYAI-UHFFFAOYSA-N
SMILES:
CSc1nc2c(s1)cc(cc2)CCl
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.74g/mol
Monoisotopic Mass:
228.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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