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113997-86-7 | Ethanamine, 2-(1,3-dithiolan-2-ylidene)-
CAS No: 113997-86-7 Catalog No: AG000A99 MDL No:MFCD00881871
Product Description
Catalog Number:
AG000A99
Chemical Name:
Ethanamine, 2-(1,3-dithiolan-2-ylidene)-
CAS Number:
113997-86-7
Molecular Formula:
C5H9NS2
Molecular Weight:
147.2617
MDL Number:
MFCD00881871
IUPAC Name:
2-(1,3-dithiolan-2-ylidene)ethanamine
InChI:
InChI=1S/C5H9NS2/c6-2-1-5-7-3-4-8-5/h1H,2-4,6H2
InChI Key:
KGJLVMILZWMZNN-UHFFFAOYSA-N
SMILES:
NCC=C1SCCS1
Properties
Complexity:
92.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.018g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.254g/mol
Monoisotopic Mass:
147.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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