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Home > Bromides > 1245563-14-7
1245563-14-7 | Carbamothioic acid, N,N-dimethyl-, O-(5-bromo-3-pyridinyl) ester
CAS No: 1245563-14-7 Catalog No: AG000M7M MDL No:MFCD17015843
Product Description
Catalog Number:
AG000M7M
Chemical Name:
Carbamothioic acid, N,N-dimethyl-, O-(5-bromo-3-pyridinyl) ester
CAS Number:
1245563-14-7
Molecular Formula:
C8H9BrN2OS
Molecular Weight:
261.1389
MDL Number:
MFCD17015843
IUPAC Name:
O-(5-bromopyridin-3-yl) N,N-dimethylcarbamothioate
InChI:
InChI=1S/C8H9BrN2OS/c1-11(2)8(13)12-7-3-6(9)4-10-5-7/h3-5H,1-2H3
InChI Key:
QFYLIIDNTFHXSD-UHFFFAOYSA-N
SMILES:
Brc1cncc(c1)OC(=S)N(C)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.962g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.137g/mol
Monoisotopic Mass:
259.962g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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