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87703-41-1 | 1,3-Dithiolan-2-amine, 2-(2-butenyl)-N,N-diethyl-
CAS No: 87703-41-1 Catalog No: AG004GL3 MDL No:
Product Description
Catalog Number:
AG004GL3
Chemical Name:
1,3-Dithiolan-2-amine, 2-(2-butenyl)-N,N-diethyl-
CAS Number:
87703-41-1
Molecular Formula:
C11H21NS2
Molecular Weight:
231.4211
IUPAC Name:
2-but-2-enyl-N,N-diethyl-1,3-dithiolan-2-amine
InChI:
InChI=1S/C11H21NS2/c1-4-7-8-11(12(5-2)6-3)13-9-10-14-11/h4,7H,5-6,8-10H2,1-3H3
InChI Key:
FTSOMIQBDJXAEF-UHFFFAOYSA-N
SMILES:
CC=CCC1(SCCS1)N(CC)CC
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.112g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.416g/mol
Monoisotopic Mass:
231.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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