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68921-78-8

68921-78-8 | Thiazolium,4,5-dihydro-3-methyl-2-[3-(3-methyl-2-thiazolidinylidene)-1-propen-1-yl]-,iodide (1:1)

CAS No: 68921-78-8 Catalog No: AG006FV0 MDL No:

Product Description

Catalog Number:
AG006FV0
Chemical Name:
Thiazolium,4,5-dihydro-3-methyl-2-[3-(3-methyl-2-thiazolidinylidene)-1-propen-1-yl]-,iodide (1:1)
CAS Number:
68921-78-8
Molecular Formula:
C11H17IN2S2
Molecular Weight:
368.3006
IUPAC Name:
3-methyl-2-[3-(3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)prop-2-enylidene]-1,3-thiazolidine;iodide
InChI:
InChI=1S/C11H17N2S2.HI/c1-12-6-8-14-10(12)4-3-5-11-13(2)7-9-15-11;/h3-5H,6-9H2,1-2H3;1H/q+1;/p-1
InChI Key:
GFUDPZJNWBVNSF-UHFFFAOYSA-M
SMILES:
CN1CCSC1=CC=CC1=[N+](C)CCS1.[I-]
EC Number:
272-961-6

Properties

Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.988g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.295g/mol
Monoisotopic Mass:
367.988g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  

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