Chemical Properties of Biotin (CAS 58-85-5)

Biotin

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InChI
InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)
InChI Key
YBJHBAHKTGYVGT-UHFFFAOYSA-N
Formula
C10H16N2O3S
SMILES
O=C(O)CCCCC1SCC2NC(=O)NC21
Molecular Weight1
244.31
CAS
58-85-5
Other Names
  • 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3as-(3a«alpha»,4«beta»,6a«alpha»)]-
  • (+)-Biotin
  • d-Biotin
  • Bioepiderm
  • Bios II
  • Coenzyme R
  • Factor S
  • Vitamin B7
  • Vitamin H
  • Factor S (vitamin)
  • Injacom H
  • D-(+)-Biotin
  • (3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid
  • Biodermatin
  • 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS,4S,6aR)-
  • NSC 63865
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Physical Properties

Property Value Unit Source
ΔfG° -50.14 kJ/mol Joback Calculated Property
ΔfH°gas -418.42 kJ/mol Joback Calculated Property
ΔfusH° 42.83 kJ/mol Joback Calculated Property
ΔvapH° 84.71 kJ/mol Joback Calculated Property
log10WS -2.25 Crippen Calculated Property
logPoct/wat 0.797 Crippen Calculated Property
McVol 175.360 ml/mol McGowan Calculated Property
Pc 3598.56 kPa Joback Calculated Property
Tboil 804.35 K Joback Calculated Property
Tc 1031.24 K Joback Calculated Property
Tfus 699.54 K Joback Calculated Property
Vc 0.644 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [543.01; 607.31] J/mol×K [804.35; 1031.24] Show Hide
Cp,gas 543.01 J/mol×K 804.35 Joback Calculated Property
Cp,gas 556.20 J/mol×K 842.17 Joback Calculated Property
Cp,gas 568.38 J/mol×K 879.98 Joback Calculated Property
Cp,gas 579.57 J/mol×K 917.80 Joback Calculated Property
Cp,gas 589.77 J/mol×K 955.61 Joback Calculated Property
Cp,gas 599.01 J/mol×K 993.43 Joback Calculated Property
Cp,gas 607.31 J/mol×K 1031.24 Joback Calculated Property

Similar Compounds

Biotin, N,N'-(trimethylsilyl)-, trimethylsilyl ester. Biotin, N,N'-tert-butyldimethylsilyl-, tert-butyldimethylsilyl ester. Pholcodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine.

Find more compounds similar to Biotin.

Sources

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