Cas no 5624-13-5 (Phenylthiohydantoin-aspartic Acid)

Phenylthiohydantoin-aspartic Acid structure
5624-13-5 structure
Product Name:Phenylthiohydantoin-aspartic Acid
CAS No:5624-13-5
MF:C11H10N2O3S
MW:250.273701190948
CID:370344
PubChem ID:87574581
Update Time:2025-04-19

Phenylthiohydantoin-aspartic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-Imidazolidineaceticacid, 5-oxo-1-phenyl-2-thioxo-
    • Phenylthiohydantoin-aspartic Acid
    • 2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetic acid
    • 2-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)acetic acid
    • 3-Phenyl-2-thiohydantoin-5-acetic Acid
    • PTH-aspartic Acid
    • Aspartic phenylthiohydantoin
    • Aspartic acid phenylthiohydantoin
    • 5-Oxo-1-phenyl-2-thioxo-4-imidazolidineacetic acid
    • 4-IMIDAZOLIDINEACETIC ACID, 5-OXO-1-PHENYL-2-THIOXO-
    • 5-Oxo-1-phenyl-2-thioxoimidazolidine-4-acetic acid
    • CBMicro_034881
    • Aspartate phenylthiohydantoin
    • Oprea1_377095
    • MLS000550870
    • 5-Hydantoinacetic acid, 3-phenyl-2-thio- (6CI)
    • (5-Oxo-1-phenyl-2-thioxo-imidazolidin-4-yl)-acetic acid
    • Phenylthiohydantoin-DL-aspartic acid
    • (5-Oxo-1-phenyl-2-sulfanyl-4,5-dihydro-1H-imidazol-4-yl)acetic acid
    • AKOS001668544
    • NS00044959
    • DTXSID70971672
    • (5-Oxo-1-phenyl-2-thioxo-4-imidazolidinyl)acetic acid #
    • 5-Hydantoinacetic acid, 3-phenyl-2-thio-
    • NCGC00246441-01
    • NFUCNAREVSTFNC-UHFFFAOYSA-N
    • AKOS022146497
    • SMR000144998
    • P0364
    • SR-01000458672-1
    • 5624-13-5
    • (5-Oxo-1-phenyl-2-thioxo-4-imidazolidinyl)acetic acid
    • HMS2464F24
    • EINECS 227-055-5
    • CHEMBL1574009
    • BIM-0034882.P001
    • CS-0453618
    • SR-01000458672
    • 2-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)aceticacid
    • STK700346
    • DA-04847
    • (5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)acetic acid
    • MDL: MFCD01076622
    • Inchi: 1S/C11H10N2O3S/c14-9(15)6-8-10(16)13(11(17)12-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,17)(H,14,15)
    • InChI Key: NFUCNAREVSTFNC-UHFFFAOYSA-N
    • SMILES: S=C1NC(CC(=O)O)C(N1C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 250.04100
  • Monoisotopic Mass: 250.041
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 353
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: 0.8
  • Topological Polar Surface Area: 102

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.51
  • Boiling Point: 435.1°Cat760mmHg
  • Flash Point: 216.9°C
  • Refractive Index: 1.705
  • PSA: 101.73000
  • LogP: 1.14480
  • Solubility: Not determined

Phenylthiohydantoin-aspartic Acid Security Information

  • RTECS:NI8720800
  • Storage Condition:(BD147741)

Phenylthiohydantoin-aspartic Acid Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Phenylthiohydantoin-aspartic Acid Pricemore >>

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