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2645-25-2 | Thiocyanic acid, 3-pyridinyl ester
CAS No: 2645-25-2 Catalog No: AG002TAJ MDL No:
Product Description
Catalog Number:
AG002TAJ
Chemical Name:
Thiocyanic acid, 3-pyridinyl ester
CAS Number:
2645-25-2
Molecular Formula:
C6H4N2S
Molecular Weight:
136.1744
IUPAC Name:
pyridin-3-yl thiocyanate
InChI:
InChI=1S/C6H4N2S/c7-5-9-6-2-1-3-8-4-6/h1-4H
InChI Key:
OYKDNXIKMAQMJG-UHFFFAOYSA-N
SMILES:
N#CSc1cccnc1
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.01g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.172g/mol
Monoisotopic Mass:
136.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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