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69578-60-5 | 1,3-Dithiol-1-ium, 4,5-dihydro-2-(methylthio)-, iodide
CAS No: 69578-60-5 Catalog No: AG005K4E MDL No:
Product Description
Catalog Number:
AG005K4E
Chemical Name:
1,3-Dithiol-1-ium, 4,5-dihydro-2-(methylthio)-, iodide
CAS Number:
69578-60-5
Molecular Formula:
C4H7IS3
Molecular Weight:
278.1979
IUPAC Name:
1,3-dithiolan-2-ylidene(methyl)sulfanium;iodide
InChI:
InChI=1S/C4H7S3.HI/c1-5-4-6-2-3-7-4;/h2-3H2,1H3;1H/q+1;/p-1
InChI Key:
VHBWTTKVMJEUQA-UHFFFAOYSA-M
SMILES:
CSC1=[S+]CCS1.[I-]
Properties
Complexity:
78.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.875g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.184g/mol
Monoisotopic Mass:
277.875g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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