Allithiamine

CAS Registry Number®

554-44-9

CAS Name

Allithiamine

Molecular Formula

C15H22N4O2S2

Molecular Mass

354.49

Cite this Page

Allithiamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=554-44-9 (retrieved 2024-11-22) (CAS RN: 554-44-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    132-133 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H22N4O2S2/c1-4-7-22-23-14(5-6-20)11(2)19(10-21)9-13-8-17-12(3)18-15(13)16/h4,8,10,20H,1,5-7,9H2,2-3H3,(H2,16,17,18)

InChIKey

InChIKey=WNCAVNGLACHSRZ-UHFFFAOYSA-N

SMILES

C(N(C(=C(SSCC=C)CCO)C)C=O)C=1C(N)=NC(C)=NC1

Canonical SMILES

O=CN(C(=C(SSCC=C)CCO)C)CC1=CN=C(N=C1N)C

Other Names for this Substance

  • Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-(2-propen-1-yldithio)-1-buten-1-yl]-
  • Formamide, N-[2-(allyldithio)-4-hydroxy-1-methyl-1-butenyl]-N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-
  • Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-(2-propenyldithio)-1-butenyl]-
  • N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-(2-propen-1-yldithio)-1-buten-1-yl]formamide
  • Allithiamine

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