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24655-55-8 | Thiocyanic acid, (2-pyridinylsulfinyl)methyl ester
CAS No: 24655-55-8 Catalog No: AG002OYF MDL No:
Product Description
Catalog Number:
AG002OYF
Chemical Name:
Thiocyanic acid, (2-pyridinylsulfinyl)methyl ester
CAS Number:
24655-55-8
Molecular Formula:
C7H6N2OS2
Molecular Weight:
198.2653
IUPAC Name:
pyridin-2-ylsulfinylmethyl thiocyanate
InChI:
InChI=1S/C7H6N2OS2/c8-5-11-6-12(10)7-3-1-2-4-9-7/h1-4H,6H2
InChI Key:
QTOHTBGHIOWXGG-UHFFFAOYSA-N
SMILES:
N#CSCS(=O)c1ccccn1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.258g/mol
Monoisotopic Mass:
197.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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