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13029-20-4 | Methanesulfenamide, 1,1,1-trichloro-N,N-diethyl-
CAS No: 13029-20-4 Catalog No: AG000U8C MDL No:
Product Description
Catalog Number:
AG000U8C
Chemical Name:
Methanesulfenamide, 1,1,1-trichloro-N,N-diethyl-
CAS Number:
13029-20-4
Molecular Formula:
C5H10Cl3NS
Molecular Weight:
222.5636
IUPAC Name:
N-ethyl-N-(trichloromethylsulfanyl)ethanamine
InChI:
InChI=1S/C5H10Cl3NS/c1-3-9(4-2)10-5(6,7)8/h3-4H2,1-2H3
InChI Key:
IXTSSNMGSKCGLR-UHFFFAOYSA-N
SMILES:
CCN(SC(Cl)(Cl)Cl)CC
Properties
Complexity:
89.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.96g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.552g/mol
Monoisotopic Mass:
220.96g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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