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100633-34-9

100633-34-9 | Benzenecarbothioic acid, 4-(pentyloxy)-, S-(4-chlorophenyl) ester

CAS No: 100633-34-9 Catalog No: AG0002IL MDL No:

Product Description

Catalog Number:
AG0002IL
Chemical Name:
Benzenecarbothioic acid, 4-(pentyloxy)-, S-(4-chlorophenyl) ester
CAS Number:
100633-34-9
Molecular Formula:
C18H19ClO2S
Molecular Weight:
334.8603
IUPAC Name:
S-(4-chlorophenyl) 4-pentoxybenzenecarbothioate
InChI:
InChI=1S/C18H19ClO2S/c1-2-3-4-13-21-16-9-5-14(6-10-16)18(20)22-17-11-7-15(19)8-12-17/h5-12H,2-4,13H2,1H3
InChI Key:
LZAMKJWYUOAGSL-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)C(=O)Sc1ccc(cc1)Cl

Properties

Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.079g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.858g/mol
Monoisotopic Mass:
334.079g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3  

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