Cas no 709-72-8 (1-(3-Nitrophenyl)thiourea)

1-(3-Nitrophenyl)thiourea structure
1-(3-Nitrophenyl)thiourea structure
Product Name:1-(3-Nitrophenyl)thiourea
CAS No:709-72-8
MF:C7H7N3O2S
MW:197.214379549026
MDL:MFCD00060541
CID:572870
PubChem ID:2754758
Update Time:2025-04-19

1-(3-Nitrophenyl)thiourea Chemical and Physical Properties

Names and Identifiers

    • Thiourea,N-(3-nitrophenyl)-
    • (3-nitrophenyl)thiourea
    • 1-(3-Nitrophenyl)-2-thiourea
    • 1-(3-nitrophenyl)thiourea
    • 3-nitrophenylthiourea
    • NSC 407996
    • A837040
    • Thiourea, (3-nitrophenyl)-
    • AKOS000113509
    • m-nitrophenyl-thiourea
    • MFCD00060541
    • SCHEMBL1880400
    • 709-72-8
    • FT-0632860
    • EN300-87361
    • DTXSID10373050
    • (S)-(+)-(3,5-DIOXA-4-PHOSPHACYCLOHEPTA[2,1-A:3,4-A']DINAPHTHALEN-4-YL)DIMETHYLAMINE
    • NSC407996
    • 1-(3-nitrophenyl)-2-thiourea, AldrichCPR
    • Amino[(3-nitrophenyl)amino]methane-1-thione
    • 3-Nitrophenyl thiourea
    • HQEMUQNZGCZHHN-UHFFFAOYSA-N
    • NSC-407996
    • DB-008004
    • STL374100
    • 1-(3-Nitrophenyl)thiourea
    • MDL: MFCD00060541
    • Inchi: 1S/C7H7N3O2S/c8-7(13)9-5-2-1-3-6(4-5)10(11)12/h1-4H,(H3,8,9,13)
    • InChI Key: HQEMUQNZGCZHHN-UHFFFAOYSA-N
    • SMILES: S=C(N)NC1C=CC=C(C=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 197.02600
  • Monoisotopic Mass: 197.026
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 216
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: nothing
  • Topological Polar Surface Area: 116A^2

Experimental Properties

  • Density: 1.524
  • Melting Point: 189 °C
  • Boiling Point: 340.9°C at 760 mmHg
  • Flash Point: 160°C
  • Refractive Index: 1.759
  • PSA: 115.96000
  • LogP: 2.54680

1-(3-Nitrophenyl)thiourea Security Information

  • Hazard Category Code: 36/37/38-43
  • Safety Instruction: S26
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38
  • HazardClass:IRRITANT

1-(3-Nitrophenyl)thiourea Customs Data

  • HS CODE:2930909090
  • Customs Data:

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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