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114067-66-2 | Thiophenium, 1-ethyltetrahydro-, bromide (1:1)
CAS No: 114067-66-2 Catalog No: AG000AFT MDL No:
Product Description
Catalog Number:
AG000AFT
Chemical Name:
Thiophenium, 1-ethyltetrahydro-, bromide (1:1)
CAS Number:
114067-66-2
Molecular Formula:
C6H13BrS
Molecular Weight:
197.1364
IUPAC Name:
1-ethylthiolan-1-ium;bromide
InChI:
InChI=1S/C6H13S.BrH/c1-2-7-5-3-4-6-7;/h2-6H2,1H3;1H/q+1;/p-1
InChI Key:
PGDQVCJLGHGIRI-UHFFFAOYSA-M
SMILES:
CC[S+]1CCCC1.[Br-]
Properties
Complexity:
46.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.992g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.134g/mol
Monoisotopic Mass:
195.992g/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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