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15018-35-6 | Pyrimidine, 2-[(5-bromopentyl)thio]-4,6-dimethyl-
CAS No: 15018-35-6 Catalog No: AG001ME5 MDL No:
Product Description
Catalog Number:
AG001ME5
Chemical Name:
Pyrimidine, 2-[(5-bromopentyl)thio]-4,6-dimethyl-
CAS Number:
15018-35-6
Molecular Formula:
C11H17BrN2S
Molecular Weight:
289.2351
IUPAC Name:
2-(5-bromopentylsulfanyl)-4,6-dimethylpyrimidine
InChI:
InChI=1S/C11H17BrN2S/c1-9-8-10(2)14-11(13-9)15-7-5-3-4-6-12/h8H,3-7H2,1-2H3
InChI Key:
SVRWBROLYGPZCB-UHFFFAOYSA-N
SMILES:
BrCCCCCSc1nc(C)cc(n1)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.235g/mol
Monoisotopic Mass:
288.03g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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