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89049-17-2 | Thiocyanic acid, 2-iodoethenyl ester
CAS No: 89049-17-2 Catalog No: AG0087TI MDL No:
Product Description
Catalog Number:
AG0087TI
Chemical Name:
Thiocyanic acid, 2-iodoethenyl ester
CAS Number:
89049-17-2
Molecular Formula:
C3H2INS
Molecular Weight:
211.0241
IUPAC Name:
2-iodoethenyl thiocyanate
InChI:
InChI=1S/C3H2INS/c4-1-2-6-3-5/h1-2H
InChI Key:
KWWWFBPFOBWJBE-UHFFFAOYSA-N
SMILES:
IC=CSC#N
Properties
Complexity:
90.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.895g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.02g/mol
Monoisotopic Mass:
210.895g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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