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175202-82-1 | 2(1H)-Pyrimidinethione, 4-(5-bromo-2-thienyl)-
CAS No: 175202-82-1 Catalog No: AG0020HV MDL No:MFCD00084908
Product Description
Catalog Number:
AG0020HV
Chemical Name:
2(1H)-Pyrimidinethione, 4-(5-bromo-2-thienyl)-
CAS Number:
175202-82-1
Molecular Formula:
C8H5BrN2S2
Molecular Weight:
273.1727
MDL Number:
MFCD00084908
IUPAC Name:
6-(5-bromothiophen-2-yl)-1H-pyrimidine-2-thione
InChI:
InChI=1S/C8H5BrN2S2/c9-7-2-1-6(13-7)5-3-4-10-8(12)11-5/h1-4H,(H,10,11,12)
InChI Key:
OLOMUHWHSOGWAW-UHFFFAOYSA-N
SMILES:
Brc1ccc(s1)c1cc[nH]c(=S)n1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.908g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.166g/mol
Monoisotopic Mass:
271.908g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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