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854084-75-6

854084-75-6 | 2-Chloro-6-(methylthio)benzo[d]thiazole

CAS No: 854084-75-6 Catalog No: AG003AQ1 MDL No:MFCD26940468

Product Description

Catalog Number:
AG003AQ1
Chemical Name:
2-Chloro-6-(methylthio)benzo[d]thiazole
CAS Number:
854084-75-6
Molecular Formula:
C8H6ClNS2
Molecular Weight:
215.7229
MDL Number:
MFCD26940468
IUPAC Name:
2-chloro-6-methylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C8H6ClNS2/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3
InChI Key:
AEEGDQHVLRPQRX-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(c1)sc(n2)Cl

Properties

Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.963g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.713g/mol
Monoisotopic Mass:
214.963g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

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