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147111-30-6 | Benzeneethanethioamide, 4-bromo-
CAS No: 147111-30-6 Catalog No: AG001EM0 MDL No:MFCD09809469
Product Description
Catalog Number:
AG001EM0
Chemical Name:
Benzeneethanethioamide, 4-bromo-
CAS Number:
147111-30-6
Molecular Formula:
C8H8BrNS
Molecular Weight:
230.1248
MDL Number:
MFCD09809469
IUPAC Name:
2-(4-bromophenyl)ethanethioamide
InChI:
InChI=1S/C8H8BrNS/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H2,10,11)
InChI Key:
YAXPTWNWOBQNPG-UHFFFAOYSA-N
SMILES:
NC(=S)Cc1ccc(cc1)Br
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.956g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.123g/mol
Monoisotopic Mass:
228.956g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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