Chemical Properties of Triazolo [4,5-d]pyrimidine-,3h-v-,7(6h)-thione-, 5-amino-3-butyl- (CAS 92352-41-5)

Triazolo [4,5-d]pyrimidine-,3h-v-,7(6h)-thione-, 5-amino-3-butyl-

InChI
InChI=1S/C8H12N6S/c1-2-3-4-14-6-5(12-13-14)7(15)11-8(9)10-6/h2-4H2,1H3,(H3,9,10,11,15)
InChI Key
CFGHKHQFYJJBHW-UHFFFAOYSA-N
Formula
C8H12N6S
SMILES
CCCCn1nnc2c(=S)[nH]c(N)nc21
Molecular Weight1
224.29
CAS
92352-41-5
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Physical Properties

Property Value Unit Source
ω 0.7471 Relay (1.0) Calculated Property
ΔfG° 420.15 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 268.42 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 139.37 kJ/mol Relay (1.0) Calculated Property
IE 7.80 eV Relay (1.0) Calculated Property
log10WS -4.07 Relay (1.0) Calculated Property
logPoct/wat 0.784 Crippen Calculated Property
McVol 160.890 ml/mol McGowan Calculated Property
Pc 3634.85 kPa Relay (1.0-beta) Calculated Property
Tboil 642.57 K Relay (1.0) Calculated Property
Tc 978.32 K Relay (1.0) Calculated Property
Tfus 545.42 K Relay (1.0) Calculated Property
Vc 0.600 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Lincomycin. risperidone. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. 5'-S-Methyl-5'-thioadenosine, O,O'-bis(trifluoroacetyl)-. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. AJMALINE, M(DIHYDRO-), AC. 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»)-. 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.

Find more compounds similar to Triazolo [4,5-d]pyrimidine-,3h-v-,7(6h)-thione-, 5-amino-3-butyl-.

Sources

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