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88313-89-7 | Benzenecarbothioic acid, S-(6-aminohexyl) ester
CAS No: 88313-89-7 Catalog No: AG0047RY MDL No:
Product Description
Catalog Number:
AG0047RY
Chemical Name:
Benzenecarbothioic acid, S-(6-aminohexyl) ester
CAS Number:
88313-89-7
Molecular Formula:
C13H19NOS
Molecular Weight:
237.3611
IUPAC Name:
S-(6-aminohexyl) benzenecarbothioate
InChI:
InChI=1S/C13H19NOS/c14-10-6-1-2-7-11-16-13(15)12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11,14H2
InChI Key:
CDWFMCKZOREJFV-UHFFFAOYSA-N
SMILES:
NCCCCCCSC(=O)c1ccccc1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.119g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.361g/mol
Monoisotopic Mass:
237.119g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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