Bisbentiamine

CAS Registry Number®

2667-89-2

CAS Name

Bisbentiamine

Molecular Formula

C38H42N8O6S2

Molecular Mass

770.92

Cite this Page

Bisbentiamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2667-89-2 (retrieved 2024-11-22) (CAS RN: 2667-89-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    146.5 °C

  • Density (2)

    1.38 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C38H42N8O6S2/c1-25(45(23-47)21-31-19-41-27(3)43-35(31)39)33(15-17-51-37(49)29-11-7-5-8-12-29)53-54-34(16-18-52-38(50)30-13-9-6-10-14-30)26(2)46(24-48)22-32-20-42-28(4)44-36(32)40/h5-14,19-20,23-24H,15-18,21-22H2,1-4H3,(H2,39,41,43)(H2,40,42,44)

InChIKey

InChIKey=IWXAZSAGYJHXPX-UHFFFAOYSA-N

SMILES

C(N(C(=C(SSC(=C(N(CC=1C(N)=NC(C)=NC1)C=O)C)CCOC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC=CC=C3)C)C=O)C=4C(N)=NC(C)=NC4

Canonical SMILES

O=CN(C(=C(SSC(=C(N(C=O)CC1=CN=C(N=C1N)C)C)CCOC(=O)C=2C=CC=CC2)CCOC(=O)C=3C=CC=CC3)C)CC4=CN=C(N=C4N)C

Other Names for this Substance

  • Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[2-[[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-1-propen-1-yl]dithio]-4-(benzoyloxy)-1-methyl-1-buten-1-yl]-
  • Formamide, N,N′-[dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-, dibenzoate (ester)
  • Formamide, N,N′-[dithiobis[2-[2-(benzoyloxy)ethyl]-1-methyl-2,1-ethenediyl]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-
  • N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[2-[[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-1-propen-1-yl]dithio]-4-(benzoyloxy)-1-methyl-1-buten-1-yl]formamide
  • Benzoylthiamine disulfide

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