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Home > Fluorides > 1332589-82-8
1332589-82-8 | Carbamothioic acid, N,N-dimethyl-, S-(5-fluoro-4'-methoxy[1,1'-biphenyl]-2-yl) ester
CAS No: 1332589-82-8 Catalog No: AG0014HA MDL No:
Product Description
Catalog Number:
AG0014HA
Chemical Name:
Carbamothioic acid, N,N-dimethyl-, S-(5-fluoro-4'-methoxy[1,1'-biphenyl]-2-yl) ester
CAS Number:
1332589-82-8
Molecular Formula:
C16H16FNO2S
Molecular Weight:
305.3671
IUPAC Name:
S-[4-fluoro-2-(4-methoxyphenyl)phenyl] N,N-dimethylcarbamothioate
InChI:
InChI=1S/C16H16FNO2S/c1-18(2)16(19)21-15-9-6-12(17)10-14(15)11-4-7-13(20-3)8-5-11/h4-10H,1-3H3
InChI Key:
NJLNKLNMFGFCKI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(F)ccc1SC(=O)N(C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.089g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.367g/mol
Monoisotopic Mass:
305.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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