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Home > Pyridines > 114085-03-9
114085-03-9 | Carbamothioic acid, diethyl-, S-4-pyridinyl ester (9CI)
CAS No: 114085-03-9 Catalog No: AG000AJ7 MDL No:
Product Description
Catalog Number:
AG000AJ7
Chemical Name:
Carbamothioic acid, diethyl-, S-4-pyridinyl ester (9CI)
CAS Number:
114085-03-9
Molecular Formula:
C10H14N2OS
Molecular Weight:
210.2960
IUPAC Name:
S-pyridin-4-yl N,N-diethylcarbamothioate
InChI:
InChI=1S/C10H14N2OS/c1-3-12(4-2)10(13)14-9-5-7-11-8-6-9/h5-8H,3-4H2,1-2H3
InChI Key:
GSEYOOMJEMSHLM-UHFFFAOYSA-N
SMILES:
CCN(C(=O)Sc1ccncc1)CC
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.083g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.295g/mol
Monoisotopic Mass:
210.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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