Home Halogens 2-bromo-5-methoxybenzene-1-carbothioamide

2-bromo-5-methoxybenzene-1-carbothioamide

CAS No.:
1114822-69-3
Catalog Number:
AG019N4L
Molecular Formula:
C8H8BrNOS
Molecular Weight:
246.1242
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Product Description
Catalog Number:
AG019N4L
Chemical Name:
2-bromo-5-methoxybenzene-1-carbothioamide
CAS Number:
1114822-69-3
Molecular Formula:
C8H8BrNOS
Molecular Weight:
246.1242
MDL Number:
MFCD11857769
IUPAC Name:
2-bromo-5-methoxybenzenecarbothioamide
InChI:
InChI=1S/C8H8BrNOS/c1-11-5-2-3-7(9)6(4-5)8(10)12/h2-4H,1H3,(H2,10,12)
InChI Key:
HJNMFXMNMSKPPG-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=S)N)Br
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.951g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.122g/mol
Monoisotopic Mass:
244.951g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties