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88313-84-2 | Benzenecarbothioic acid, S-(8-aminooctyl) ester, hydrochloride
CAS No: 88313-84-2 Catalog No: AG0048OZ MDL No:
Product Description
Catalog Number:
AG0048OZ
Chemical Name:
Benzenecarbothioic acid, S-(8-aminooctyl) ester, hydrochloride
CAS Number:
88313-84-2
Molecular Formula:
C15H24ClNOS
Molecular Weight:
301.8752
IUPAC Name:
S-(8-aminooctyl) benzenecarbothioate;hydrochloride
InChI:
InChI=1S/C15H23NOS.ClH/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;1H
InChI Key:
XPEGYMIVAAQVPI-UHFFFAOYSA-N
SMILES:
NCCCCCCCCSC(=O)c1ccccc1.Cl
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.873g/mol
Monoisotopic Mass:
301.127g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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