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18775-06-9 | Benzenecarbothioamide, N,N-diethyl-
CAS No: 18775-06-9 Catalog No: AG002GHK MDL No:
Product Description
Catalog Number:
AG002GHK
Chemical Name:
Benzenecarbothioamide, N,N-diethyl-
CAS Number:
18775-06-9
Molecular Formula:
C11H15NS
Molecular Weight:
193.3085
IUPAC Name:
N,N-diethylbenzenecarbothioamide
InChI:
InChI=1S/C11H15NS/c1-3-12(4-2)11(13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChI Key:
BLKHEHXBEXPSAR-UHFFFAOYSA-N
SMILES:
CCN(C(=S)c1ccccc1)CC
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.093g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.308g/mol
Monoisotopic Mass:
193.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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