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88313-90-0 | Benzenecarbothioic acid, S-(8-aminooctyl) ester
CAS No: 88313-90-0 Catalog No: AG0047RX MDL No:
Product Description
Catalog Number:
AG0047RX
Chemical Name:
Benzenecarbothioic acid, S-(8-aminooctyl) ester
CAS Number:
88313-90-0
Molecular Formula:
C15H23NOS
Molecular Weight:
265.4142
IUPAC Name:
S-(8-aminooctyl) benzenecarbothioate
InChI:
InChI=1S/C15H23NOS/c16-12-8-3-1-2-4-9-13-18-15(17)14-10-6-5-7-11-14/h5-7,10-11H,1-4,8-9,12-13,16H2
InChI Key:
ZBFHBDQYMKELSC-UHFFFAOYSA-N
SMILES:
NCCCCCCCCSC(=O)c1ccccc1
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.15g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.415g/mol
Monoisotopic Mass:
265.15g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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