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89790-06-7 | Benzenepropanethioamide,4-butoxy-
CAS No: 89790-06-7 Catalog No: AG003ZE4 MDL No:
Product Description
Catalog Number:
AG003ZE4
Chemical Name:
Benzenepropanethioamide,4-butoxy-
CAS Number:
89790-06-7
Molecular Formula:
C13H20NOS-
Molecular Weight:
238.3690
IUPAC Name:
3-(4-butoxyphenyl)propylsulfanylazanide
InChI:
InChI=1S/C13H20NOS/c1-2-3-10-15-13-8-6-12(7-9-13)5-4-11-16-14/h6-9,14H,2-5,10-11H2,1H3/q-1
InChI Key:
JJCBBYKMVVTLSF-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)CCCS[NH-]
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.127g/mol
Formal Charge:
-1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.369g/mol
Monoisotopic Mass:
238.127g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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