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Phenylthiohydantoin-arginine Hydrochloride - >98.0%(HPLC)(T), high purity , CAS No.182153-75-9
Basic Description
Specifications & Purity | ≥98%(HPLC)(T) |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 504770447 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504770447 |
IUPAC Name | 2-[3-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)propyl]guanidine;hydrochloride |
INCHI | InChI=1S/C13H17N5OS.ClH/c14-12(15)16-8-4-7-10-11(19)18(13(20)17-10)9-5-2-1-3-6-9;/h1-3,5-6,10H,4,7-8H2,(H,17,20)(H4,14,15,16);1H |
InChi Key | IXKPSQGERWCHMF-UHFFFAOYSA-N |
Canonical SMILES | C1=CC=C(C=C1)N2C(=O)C(NC2=S)CCCN=C(N)N.Cl |
Isomeric SMILES | C1=CC=C(C=C1)N2C(=O)C(NC2=S)CCCN=C(N)N.Cl |
PubChem CID | 44630443 |
Molecular Weight | 327.83 |
Reaxy-Rn | 3777997 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C) | 188℃ |
Molecular Weight | 327.830 g/mol |
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XLogP3 | |
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Hydrogen Bond Donor Count | 4 |
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Hydrogen Bond Acceptor Count | 3 |
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Rotatable Bond Count | 5 |
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Exact Mass | 327.092 Da |
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Monoisotopic Mass | 327.092 Da |
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Topological Polar Surface Area | 129.000 Ų |
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Heavy Atom Count | 21 |
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Formal Charge | 0 |
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Complexity | 402.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 1 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 2 |
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