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14350-47-1 | 3-Ethyl-2-(3-(3-ethylthiazolidin-2-ylidene)prop-1-enyl)-4,5-dihydrothiazolium perchlorate
CAS No: 14350-47-1 Catalog No: AG006US4 MDL No:
Product Description
Catalog Number:
AG006US4
Chemical Name:
3-Ethyl-2-(3-(3-ethylthiazolidin-2-ylidene)prop-1-enyl)-4,5-dihydrothiazolium perchlorate
CAS Number:
14350-47-1
Molecular Formula:
C13H21ClN2O4S2
Molecular Weight:
368.8998
IUPAC Name:
(2E)-3-ethyl-2-[(E)-3-(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)prop-2-enylidene]-1,3-thiazolidine;perchlorate
InChI:
InChI=1S/C13H21N2S2.ClHO4/c1-3-14-8-10-16-12(14)6-5-7-13-15(4-2)9-11-17-13;2-1(3,4)5/h5-7H,3-4,8-11H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
MILLXVQMIXHQEI-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CCN1CCSC1=CC=CC1=[N+](CC)CCS1
EC Number:
238-300-0
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
368.063g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.891g/mol
Monoisotopic Mass:
368.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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