Fursultiamine

C17H26N4O3S2CAS 804-30-8398.54 g/mol

OHSSONONHNHN
AlcoholAlkeneAmideDisulfideEther

Properties

Molecular formula
C17H26N4O3S2
Molar mass
398.54 g/mol
Exact mass
398.1446 Da
Density
1.29 g/mL
Melting point
132 °C (decomposes)
logP
2.33Crippen estimate
Polar surface area
102.3 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
10

Identifiers

CAS number
804-30-8
SMILES
CC(=C(CCO)SSCC1CCCO1)N(C=O)Cc1cnc(C)[nH]c1=N
InChIKey
JTLXCMOFVBXEKD-UHFFFAOYSA-N
InChI
InChI=1S/C17H26N4O3S2/c1-12(16(5-6-22)26-25-10-15-4-3-7-24-15)21(11-23)9-14-8-19-13(2)20-17(14)18/h8,11,15,22H,3-7,9-10H2,1-2H3,(H2,18,19,20)

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Names and synonyms

16 names · show all
  • N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[(tetrahydrofurfuryl)dithio]-1-butenyl]formamide
  • Judolor
  • Thiamine tetrahydrofurfuryl disulfide
  • TTFD
  • Tetrahydrofurfuryl thiamine disulfide
  • Diteftin
  • Adventan
  • Fursultiamin
  • Linamin
  • Retar B1
  • Thiamin tetrahydrofurfuryl disulfide
  • Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[[(tetrahydro-2-furanyl)methyl]dithio]-1-buten-1-yl]-
  • Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[(tetrahydrofurfuryl)dithio]-1-butenyl]-
  • Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[[(tetrahydro-2-furanyl)methyl]dithio]-1-butenyl]-
  • N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[[(tetrahydro-2-furanyl)methyl]dithio]-1-buten-1-yl]formamide
  • Alinamin F

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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