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89036-40-8 | Benzothiazole, 2-[[2-[(4-chlorophenyl)sulfonyl]ethyl]thio]-
CAS No: 89036-40-8 Catalog No: AG00424Z MDL No:
Product Description
Catalog Number:
AG00424Z
Chemical Name:
Benzothiazole, 2-[[2-[(4-chlorophenyl)sulfonyl]ethyl]thio]-
CAS Number:
89036-40-8
Molecular Formula:
C15H12ClNO2S3
Molecular Weight:
369.9093
IUPAC Name:
2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-1,3-benzothiazole
InChI:
InChI=1S/C15H12ClNO2S3/c16-11-5-7-12(8-6-11)22(18,19)10-9-20-15-17-13-3-1-2-4-14(13)21-15/h1-8H,9-10H2
InChI Key:
GKLYSZNMETWHGQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)CCSc1nc2c(s1)cccc2
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.972g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.896g/mol
Monoisotopic Mass:
368.972g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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