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23451-62-9 | Sulfonium, dimethyl-2-propyn-1-yl-, bromide (1:1)
CAS No: 23451-62-9 Catalog No: AG002NAR MDL No:
Product Description
Catalog Number:
AG002NAR
Chemical Name:
Sulfonium, dimethyl-2-propyn-1-yl-, bromide (1:1)
CAS Number:
23451-62-9
Molecular Formula:
C5H9BrS
Molecular Weight:
181.0940
IUPAC Name:
dimethyl(prop-2-ynyl)sulfanium;bromide
InChI:
InChI=1S/C5H9S.BrH/c1-4-5-6(2)3;/h1H,5H2,2-3H3;1H/q+1;/p-1
InChI Key:
WUHKVBHEWPBWAS-UHFFFAOYSA-M
SMILES:
C#CC[S+](C)C.[Br-]
EC Number:
245-666-5
Properties
Complexity:
65.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.961g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.091g/mol
Monoisotopic Mass:
179.961g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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