Thiamine disulfide

CAS Registry Number®

67-16-3
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CAS Name

Thiamine disulfide

Molecular Formula

C24H34N8O4S2

Molecular Mass

562.71

Cite this Page

Thiamine disulfide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=67-16-3 (retrieved 2024-04-20) (CAS RN: 67-16-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    177 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C24H34N8O4S2/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30)

InChIKey

InChIKey=GFEGEDUIIYDMOX-UHFFFAOYSA-N

SMILES

C(N(C(=C(SSC(=C(N(CC=1C(N)=NC(C)=NC1)C=O)C)CCO)CCO)C)C=O)C=2C(N)=NC(C)=NC2

Canonical SMILES

O=CN(C(=C(SSC(=C(N(C=O)CC1=CN=C(N=C1N)C)C)CCO)CCO)C)CC2=CN=C(N=C2N)C

Other Names for this Substance

  • Formamide, N,N′-[dithiobis[2-(2-hydroxyethyl)-1-methyl-2,1-ethenediyl]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-
  • Formamide, N,N′-[dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-
  • N,N′-[Dithiobis[2-(2-hydroxyethyl)-1-methyl-2,1-ethenediyl]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]formamide]
  • Aneurine disulfide
  • N,N′-[Dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]formamide

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Deleted or Replaced CAS Registry Numbers

1089761-47-6, 1089761-51-2

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