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887354-22-5 | 2-(Dansylsulfonamido)ethyl-3-(hydrazinocarboxy)ethyl Disulfide
CAS No: 887354-22-5 Catalog No: AG00466D MDL No:
Product Description
Catalog Number:
AG00466D
Chemical Name:
2-(Dansylsulfonamido)ethyl-3-(hydrazinocarboxy)ethyl Disulfide
CAS Number:
887354-22-5
Molecular Formula:
C17H24N4O3S3
Molecular Weight:
428.5925
IUPAC Name:
5-(dimethylamino)-N-[2-[(3-hydrazinyl-3-oxopropyl)disulfanyl]ethyl]naphthalene-1-sulfonamide
InChI:
InChI=1S/C17H24N4O3S3/c1-21(2)15-7-3-6-14-13(15)5-4-8-16(14)27(23,24)19-10-12-26-25-11-9-17(22)20-18/h3-8,19H,9-12,18H2,1-2H3,(H,20,22)
InChI Key:
HQDKAFHASWURKG-UHFFFAOYSA-N
SMILES:
NNC(=O)CCSSCCNS(=O)(=O)c1cccc2c1cccc2N(C)C
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.101g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
428.584g/mol
Monoisotopic Mass:
428.101g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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