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80946-15-2 | Benzenecarboximidamide, N,N-diethyl-2-mercapto-
CAS No: 80946-15-2 Catalog No: AG0050J8 MDL No:
Product Description
Catalog Number:
AG0050J8
Chemical Name:
Benzenecarboximidamide, N,N-diethyl-2-mercapto-
CAS Number:
80946-15-2
Molecular Formula:
C11H16N2S
Molecular Weight:
208.3231
IUPAC Name:
N,N-diethyl-2-sulfanylbenzenecarboximidamide
InChI:
InChI=1S/C11H16N2S/c1-3-13(4-2)11(12)9-7-5-6-8-10(9)14/h5-8,12,14H,3-4H2,1-2H3
InChI Key:
DINUZOOQJKCBLE-UHFFFAOYSA-N
SMILES:
CCN(C(=N)c1ccccc1S)CC
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.103g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.323g/mol
Monoisotopic Mass:
208.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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