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76151-76-3 | Benzothiazole, 2-[[(3,4-dichlorophenyl)methyl]thio]-
CAS No: 76151-76-3 Catalog No: AG005FF2 MDL No:
Product Description
Catalog Number:
AG005FF2
Chemical Name:
Benzothiazole, 2-[[(3,4-dichlorophenyl)methyl]thio]-
CAS Number:
76151-76-3
Molecular Formula:
C14H9Cl2NS2
Molecular Weight:
326.2640
IUPAC Name:
2-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazole
InChI:
InChI=1S/C14H9Cl2NS2/c15-10-6-5-9(7-11(10)16)8-18-14-17-12-3-1-2-4-13(12)19-14/h1-7H,8H2
InChI Key:
QSBZMVNCYHYDIV-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1Cl)CSc1nc2c(s1)cccc2
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.955g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.253g/mol
Monoisotopic Mass:
324.955g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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