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Home > Pyridines > 129196-40-3
129196-40-3 | Carbamothioic acid, 2-pyridinyl-, O-ethyl ester (9CI)
CAS No: 129196-40-3 Catalog No: AG000YYD MDL No:
Product Description
Catalog Number:
AG000YYD
Chemical Name:
Carbamothioic acid, 2-pyridinyl-, O-ethyl ester (9CI)
CAS Number:
129196-40-3
Molecular Formula:
C8H10N2OS
Molecular Weight:
182.2428
IUPAC Name:
O-ethyl N-pyridin-2-ylcarbamothioate
InChI:
InChI=1S/C8H10N2OS/c1-2-11-8(12)10-7-5-3-4-6-9-7/h3-6H,2H2,1H3,(H,9,10,12)
InChI Key:
RBNHOKLZIHLXGS-UHFFFAOYSA-N
SMILES:
CCOC(=S)Nc1ccccn1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.241g/mol
Monoisotopic Mass:
182.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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