Home Halogens 3-bromothiophene-2-carbonyl isothiocyanate

3-bromothiophene-2-carbonyl isothiocyanate

CAS No.:
1339908-68-7
Catalog Number:
AG01BDPO
Molecular Formula:
C6H2BrNOS2
Molecular Weight:
248.1202
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Product Description
Catalog Number:
AG01BDPO
Chemical Name:
3-bromothiophene-2-carbonyl isothiocyanate
CAS Number:
1339908-68-7
Molecular Formula:
C6H2BrNOS2
Molecular Weight:
248.1202
MDL Number:
MFCD18888373
IUPAC Name:
3-bromothiophene-2-carbonyl isothiocyanate
InChI:
InChI=1S/C6H2BrNOS2/c7-4-1-2-11-5(4)6(9)8-3-10/h1-2H
InChI Key:
BQECXOBHUFFGHJ-UHFFFAOYSA-N
SMILES:
S=C=NC(=O)c1sccc1Br
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.876g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.112g/mol
Monoisotopic Mass:
246.876g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties