Home Other Building Blocks 4-BROMO-3-METHYLBENZENE-1-CARBOTHIOAMIDE

4-BROMO-3-METHYLBENZENE-1-CARBOTHIOAMIDE

CAS No.:
41963-21-7
Catalog Number:
AG01DWFA
Molecular Formula:
C8H8BrNS
Molecular Weight:
230.1248
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Product Description
Catalog Number:
AG01DWFA
Chemical Name:
4-BROMO-3-METHYLBENZENE-1-CARBOTHIOAMIDE
CAS Number:
41963-21-7
Molecular Formula:
C8H8BrNS
Molecular Weight:
230.1248
MDL Number:
MFCD21782998
IUPAC Name:
4-bromo-3-methylbenzenecarbothioamide
InChI:
InChI=1S/C8H8BrNS/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H2,10,11)
InChI Key:
CXFZNWLAZQWBFI-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccc(c(c1)C)Br
Properties
Complexity:
160  
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:
1  
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties