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18051-53-1 | Benzenecarbothioamide, N-[3-(diethylamino)propyl]-4-propoxy-
CAS No: 18051-53-1 Catalog No: AG00221Q MDL No:
Product Description
Catalog Number:
AG00221Q
Chemical Name:
Benzenecarbothioamide, N-[3-(diethylamino)propyl]-4-propoxy-
CAS Number:
18051-53-1
Molecular Formula:
C17H28N2OS
Molecular Weight:
308.4820
IUPAC Name:
N-[3-(diethylamino)propyl]-4-propoxybenzenecarbothioamide
InChI:
InChI=1S/C17H28N2OS/c1-4-14-20-16-10-8-15(9-11-16)17(21)18-12-7-13-19(5-2)6-3/h8-11H,4-7,12-14H2,1-3H3,(H,18,21)
InChI Key:
MISOWJIGAAHELX-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)C(=S)NCCCN(CC)CC
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.192g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.484g/mol
Monoisotopic Mass:
308.192g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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