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121611-14-1 | Benzenebutanethioamide, N,N-dimethyl-
CAS No: 121611-14-1 Catalog No: AG0015EN MDL No:
Product Description
Catalog Number:
AG0015EN
Chemical Name:
Benzenebutanethioamide, N,N-dimethyl-
CAS Number:
121611-14-1
Molecular Formula:
C12H17NS
Molecular Weight:
207.3351
IUPAC Name:
N,N-dimethyl-4-phenylbutanethioamide
InChI:
InChI=1S/C12H17NS/c1-13(2)12(14)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3
InChI Key:
CFXPQURANKZXPC-UHFFFAOYSA-N
SMILES:
S=C(N(C)C)CCCc1ccccc1
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.108g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.335g/mol
Monoisotopic Mass:
207.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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