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Home > Pyridines > 266339-14-4
266339-14-4 | Carbonic acid, methyl 2-thioxo-1(2H)-pyridinyl ester
CAS No: 266339-14-4 Catalog No: AG002TW2 MDL No:MFCD18811338
Product Description
Catalog Number:
AG002TW2
Chemical Name:
Carbonic acid, methyl 2-thioxo-1(2H)-pyridinyl ester
CAS Number:
266339-14-4
Molecular Formula:
C7H7NO3S
Molecular Weight:
185.2004
MDL Number:
MFCD18811338
IUPAC Name:
(3-methyl-2-sulfanylidenepyridin-1-yl) carbonate
InChI:
InChI=1S/C7H7NO3S/c1-5-3-2-4-8(6(5)12)11-7(9)10/h2-4H,1H3,(H,9,10)/p-1
InChI Key:
RCPATUFWGHUFNG-UHFFFAOYSA-M
SMILES:
COC(=O)On1ccccc1=S
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.007g/mol
Formal Charge:
-1
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.189g/mol
Monoisotopic Mass:
184.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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