Bisbentiamine
CAS Registry Number®
2667-89-2
No image available.
CAS Name
BisbentiamineMolecular Formula
C38H42N8O6S2Molecular Mass
770.92Cite 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 ) (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 °CDensity (2)
1.38 g/cm³
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Sugimoto, Masaaki; Chemical & Pharmaceutical Bulletin, (2006), 54(2), 175-180, CAplus
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