Cas no 7170-77-6 ([(2-amino-1,3-benzothiazol-6-yl)sulfanyl]formonitrile)

[(2-amino-1,3-benzothiazol-6-yl)sulfanyl]formonitrile structure
7170-77-6 structure
Product Name:[(2-amino-1,3-benzothiazol-6-yl)sulfanyl]formonitrile
CAS No:7170-77-6
MF:C8H5N3S2
MW:207.275398015976
MDL:MFCD00043999
CID:47267
PubChem ID:24878738
Update Time:2025-04-18

[(2-amino-1,3-benzothiazol-6-yl)sulfanyl]formonitrile Chemical and Physical Properties

Names and Identifiers

    • 6-Thiocyanatobenzo[d]thiazol-2-amine
    • 2-Amino-6-Thiocyano Benzothiazole
    • (2-amino-1,3-benzothiazol-6-yl) thiocyanate
    • 2-AMINO-6-THIOCYANATOBENZOTHIAZOLE
    • 2-Amino-6-thiocyanobenzothiazole
    • [(2-amino-1,3-benzothiazol-6-yl)sulfanyl]formonitrile
    • AT13906
    • 2-Amino-6-benzothiazolyl thiocyanate
    • NSC 327380
    • SCHEMBL614629
    • NSC-327380
    • 2-Amino-6-thiocyanatobenzothiazole, 96%
    • FT-0636381
    • F0001-1839
    • NS00037279
    • DTXSID1064584
    • EINECS 230-524-7
    • Thiocyanic acid, 2-amino-6-benzothiazolyl ester
    • 2-amino-1,3-benzothiazol-6-yl thiocyanate
    • 2-Amino-6-thiocyanato-1,3-benzothiazole
    • 2-amino-6-thiocyanato benzothiazole
    • SR-01000370550-1
    • AMY14313
    • BS-42334
    • EN300-8157073
    • MFCD00043999
    • XTH8LS4QYK
    • UNII-XTH8LS4QYK
    • SR-01000370550
    • 7170-77-6
    • 6-thiocyanatobenzothiazol-2-ylamine
    • AKOS000297379
    • NSC327380
    • FVNSRFMQXKMHTQ-UHFFFAOYSA-N
    • HMS1678I17
    • AG-690/12867974
    • DB-020501
    • MDL: MFCD00043999
    • Inchi: 1S/C8H5N3S2/c9-4-12-5-1-2-6-7(3-5)13-8(10)11-6/h1-3H,(H2,10,11)
    • InChI Key: FVNSRFMQXKMHTQ-UHFFFAOYSA-N
    • SMILES: S1C(N)=NC2C=CC(=CC1=2)SC#N

Computed Properties

  • Exact Mass: 206.99200
  • Monoisotopic Mass: 206.992
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 237
  • 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: 2
  • XLogP3: 2.6
  • Topological Polar Surface Area: 116A^2

Experimental Properties

  • Color/Form: Not available
  • Density: 1.5±0.1 g/cm3
  • Melting Point: 194-197?°C (lit.)
  • Boiling Point: 435.9±37.0 °C at 760 mmHg
  • Flash Point: 217.4±26.5 °C
  • Refractive Index: 1.778
  • PSA: 116.24000
  • LogP: 3.03288
  • Solubility: Not available
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

[(2-amino-1,3-benzothiazol-6-yl)sulfanyl]formonitrile Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38
  • Storage Condition:Store at 4 ° C, -4 ° C is better

[(2-amino-1,3-benzothiazol-6-yl)sulfanyl]formonitrile Pricemore >>

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