Sulbutiamine

CAS Registry Number®

3286-46-2

CAS Name

Sulbutiamine

Molecular Formula

C32H46N8O6S2

Molecular Mass

702.89

Cite this Page

Sulbutiamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3286-46-2 (retrieved 2024-11-22) (CAS RN: 3286-46-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    140.5-141.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C32H46N8O6S2/c1-19(2)31(43)45-11-9-27(21(5)39(17-41)15-25-13-35-23(7)37-29(25)33)47-48-28(10-12-46-32(44)20(3)4)22(6)40(18-42)16-26-14-36-24(8)38-30(26)34/h13-14,17-20H,9-12,15-16H2,1-8H3,(H2,33,35,37)(H2,34,36,38)

InChIKey

InChIKey=CKHJPWQVLKHBIH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Propanoic acid, 2-methyl-, 1,1′-[dithiobis[3-[1-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]ethylidene]-3,1-propanediyl]] ester
  • Isobutyric acid, diester with N,N′-[dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]formamide]
  • Propanoic acid, 2-methyl-, dithiobis[3-[1-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]ethylidene]-3,1-propanediyl] ester
  • Formamide, N,N′-[dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-, diisobutyrate (ester)
  • O-Isobutyroylthiamine disulfide

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration