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25006-82-0 | Thieno[3,2-d]thiazolium, 1-ethyl-2-methyl-, iodide (1:1)
CAS No: 25006-82-0 Catalog No: AG002Q5R MDL No:
Product Description
Catalog Number:
AG002Q5R
Chemical Name:
Thieno[3,2-d]thiazolium, 1-ethyl-2-methyl-, iodide (1:1)
CAS Number:
25006-82-0
Molecular Formula:
C8H10INS2
Molecular Weight:
311.2062
IUPAC Name:
1-ethyl-2-methylthieno[3,2-d][1,3]thiazol-1-ium;iodide
InChI:
InChI=1S/C8H10NS2.HI/c1-3-9-6(2)11-8-7(9)4-5-10-8;/h4-5H,3H2,1-2H3;1H/q+1;/p-1
InChI Key:
CVPAHJMOHWRYEQ-UHFFFAOYSA-M
SMILES:
CC[n+]1c(C)sc2c1ccs2.[I-]
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.93g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.199g/mol
Monoisotopic Mass:
310.93g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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