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21010-32-2 | Benzenecarbothioamide, 4-(1,1-dimethylethyl)-N-methyl-N-phenyl-
CAS No: 21010-32-2 Catalog No: AG002KKF MDL No:
Product Description
Catalog Number:
AG002KKF
Chemical Name:
Benzenecarbothioamide, 4-(1,1-dimethylethyl)-N-methyl-N-phenyl-
CAS Number:
21010-32-2
Molecular Formula:
C18H21NS
Molecular Weight:
283.4310
IUPAC Name:
4-tert-butyl-N-methyl-N-phenylbenzenecarbothioamide
InChI:
InChI=1S/C18H21NS/c1-18(2,3)15-12-10-14(11-13-15)17(20)19(4)16-8-6-5-7-9-16/h5-13H,1-4H3
InChI Key:
LXCURFADVXIXIU-UHFFFAOYSA-N
SMILES:
CN(C(=S)c1ccc(cc1)C(C)(C)C)c1ccccc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.139g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.433g/mol
Monoisotopic Mass:
283.139g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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