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114478-85-2 | Benzenamine, 4-[bis(ethylthio)methyl]-N,N-dimethyl-
CAS No: 114478-85-2 Catalog No: AG000EH3 MDL No:
Product Description
Catalog Number:
AG000EH3
Chemical Name:
Benzenamine, 4-[bis(ethylthio)methyl]-N,N-dimethyl-
CAS Number:
114478-85-2
Molecular Formula:
C13H21NS2
Molecular Weight:
255.4425
IUPAC Name:
4-[bis(ethylsulfanyl)methyl]-N,N-dimethylaniline
InChI:
InChI=1S/C13H21NS2/c1-5-15-13(16-6-2)11-7-9-12(10-8-11)14(3)4/h7-10,13H,5-6H2,1-4H3
InChI Key:
UYODCQYACUWWHI-UHFFFAOYSA-N
SMILES:
CCSC(c1ccc(cc1)N(C)C)SCC
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.112g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.438g/mol
Monoisotopic Mass:
255.112g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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