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114087-84-2 | Ethanethioamide, 2-(diethylamino)-
CAS No: 114087-84-2 Catalog No: AG000AIS MDL No:
Product Description
Catalog Number:
AG000AIS
Chemical Name:
Ethanethioamide, 2-(diethylamino)-
CAS Number:
114087-84-2
Molecular Formula:
C6H14N2S
Molecular Weight:
146.2538
IUPAC Name:
2-(diethylamino)ethanethioamide
InChI:
InChI=1S/C6H14N2S/c1-3-8(4-2)5-6(7)9/h3-5H2,1-2H3,(H2,7,9)
InChI Key:
HBHSTRMHABDWST-UHFFFAOYSA-N
SMILES:
CCN(CC(=S)N)CC
Properties
Complexity:
89.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.088g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.252g/mol
Monoisotopic Mass:
146.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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