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139244-00-1 | 6H-Purine-6-thione, 2-bromo-1,9-dihydro-
CAS No: 139244-00-1 Catalog No: AG001AK0 MDL No:MFCD23135381
Product Description
Catalog Number:
AG001AK0
Chemical Name:
6H-Purine-6-thione, 2-bromo-1,9-dihydro-
CAS Number:
139244-00-1
Molecular Formula:
C5H3BrN4S
Molecular Weight:
231.0731
MDL Number:
MFCD23135381
IUPAC Name:
2-bromo-3,7-dihydropurine-6-thione
InChI:
InChI=1S/C5H3BrN4S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H2,7,8,9,10,11)
InChI Key:
FAQOJEGXUUBBIW-UHFFFAOYSA-N
SMILES:
Brc1[nH]c(=S)c2c(n1)[nH]cn2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.926g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.071g/mol
Monoisotopic Mass:
229.926g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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