Cas no 1098-97-1 (Pyritinol)

Pyritinol structure
Pyritinol structure
Product Name:Pyritinol
CAS No:1098-97-1
MF:C16H20N2O4S2
MW:368.471001625061
MDL:MFCD00151477
CID:40724
Update Time:2025-04-18

Pyritinol Chemical and Physical Properties

Names and Identifiers

    • 5,5'-(Disulfanediylbis(methylene))bis(4-(hydroxymethyl)-2-methylpyridin-3-ol)
    • (HYDROXYMETHYL)-2-METHYL-PYRIDIN-3-OL
    • PYRITHIOXIN
    • PYRITHIOXINE
    • PYRITINOL
    • 3,3’-(dithiobis(methylene))bis(5-hydroxy-6-methyl-4-pyridinemethano
    • 3,3’-(dithiobis(methylene))bis(5-hydroxy-6-methyl-4-pyridinemethanol)
    • 3,3’-(dithiodimethylene)bis(5-hydroxy-6-methyl-4-pyridinemethano
    • biocefalin
    • bonol
    • dipyridoxolyldisulfide
    • encefabol
    • epocan
    • pyridoxine-5-disulfide
    • pyridoxinedisulfide
    • vitaminb6disulfide
    • bis(5-hydroxy-4-hydroxymethyl-6-methyl-3-pyridylmethyl) disulphide
    • pyrithioxin free base
    • Bis-[(3-Hydroxy-4-Hydroxymethyl-2-Methyl-5-Pyridyl)-Methyl]-Disulfide
    • PYRITINOL (PYRITHIOXINE) BASE
    • PYRITINOL (PYRITHIOXINE) HCL
    • 5-[[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
    • Bonifen
    • Piritinol
    • 5,5'-Disulfanediylbis(methylene)bis(4-(hydroxymethyl)-2-methylpyridin-3-ol)
    • Pyridoxine Disulfide
    • Vitamin B6 disulfide
    • Pyritioxine
    • Piritinolo [DCIT]
    • Pyritinolum [INN-Latin]
    • Piritinol [INN-Spanish]
    • Pyritinol [INN:BAN:DCF]
    • C16H20N2O4S2
    • AK5Q5FZH2R
    • 3,3'-(Dithiobis(methylene))bis(5-hydroxy-6-methyl-4-pyridinemethanol)
    • 4-Pyridinemethanol, 3,3'-[dithiobis(methylene)]bis[5-hydroxy-6-methyl-
    • 4-Pyridinemetha
    • 4-Pyridinemethanol, 3,3'-(dithiodimethylene)bis(5-hydroxy-6-methyl-
    • 4-Pyridinemethanol
    • Pyritinol
    • MDL: MFCD00151477
    • Inchi: 1S/C16H20N2O4S2/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20/h3-4,19-22H,5-8H2,1-2H3
    • InChI Key: SIXLXDIJGIWWFU-UHFFFAOYSA-N
    • SMILES: S(CC1=CN=C(C)C(=C1CO)O)SCC1=CN=C(C)C(=C1CO)O

Computed Properties

  • Exact Mass: 368.08600
  • Monoisotopic Mass: 368.086
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 7
  • Complexity: 346
  • 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: 5
  • XLogP3: 1.2
  • Topological Polar Surface Area: 157

Experimental Properties

  • Color/Form: White or off white crystalline powder
  • Density: 1.448
  • Melting Point: 218-220°
  • Boiling Point: 742.8 °C at 760 mmHg
  • Flash Point: 742.8 °C at 760 mmHg
  • PSA: 157.30000
  • LogP: 2.57080
  • Merck: 7996

Pyritinol Security Information

  • Symbol: GHS05 GHS07
  • Signal Word:Danger
  • Hazard Statement: H315-H318-H335
  • Warning Statement: P261-P280-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:2
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26
  • RTECS:UT4836666
  • Hazardous Material Identification: Xi
  • Storage Condition:Please store the product under the recommended conditions in the Certificate of Analysis.

Pyritinol Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. 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:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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