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81841-37-4 | Pentanoyl azide, 5-(1H-purin-6-ylthio)-
CAS No: 81841-37-4 Catalog No: AG005HU0 MDL No:
Product Description
Catalog Number:
AG005HU0
Chemical Name:
Pentanoyl azide, 5-(1H-purin-6-ylthio)-
CAS Number:
81841-37-4
Molecular Formula:
C10H11N7OS
Molecular Weight:
277.3056
IUPAC Name:
5-(7H-purin-6-ylsulfanyl)pentanoyl azide
InChI:
InChI=1S/C10H11N7OS/c11-17-16-7(18)3-1-2-4-19-10-8-9(13-5-12-8)14-6-15-10/h5-6H,1-4H2,(H,12,13,14,15)
InChI Key:
NMIVBAMMHVWXGZ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC(=O)CCCCSc1[nH]cnc2c1ncn2
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.306g/mol
Monoisotopic Mass:
277.075g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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