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15018-33-4 | Pyrimidine, 2-[(4-bromobutyl)thio]-4,6-dimethyl-
CAS No: 15018-33-4 Catalog No: AG001ME6 MDL No:
Product Description
Catalog Number:
AG001ME6
Chemical Name:
Pyrimidine, 2-[(4-bromobutyl)thio]-4,6-dimethyl-
CAS Number:
15018-33-4
Molecular Formula:
C10H15BrN2S
Molecular Weight:
275.2085
IUPAC Name:
2-(4-bromobutylsulfanyl)-4,6-dimethylpyrimidine
InChI:
InChI=1S/C10H15BrN2S/c1-8-7-9(2)13-10(12-8)14-6-4-3-5-11/h7H,3-6H2,1-2H3
InChI Key:
KYOCHSLZEDGORR-UHFFFAOYSA-N
SMILES:
BrCCCCSc1nc(C)cc(n1)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.014g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.208g/mol
Monoisotopic Mass:
274.014g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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