Chemical Properties of As-triazino[5,6-b]indole-3-thiol, 5-methyl- (CAS 4046-70-2)

As-triazino[5,6-b]indole-3-thiol, 5-methyl-

InChI
InChI=1S/C10H8N4S/c1-14-7-5-3-2-4-6(7)8-9(14)11-10(15)13-12-8/h2-5H,1H3,(H,11,13,15)
InChI Key
RZYGCPYYIBGBCX-UHFFFAOYSA-N
Formula
C10H8N4S
SMILES
Cn1c2ccccc2c2nnc(S)nc21
Molecular Weight1
216.26
CAS
4046-70-2
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Physical Properties

Property Value Unit Source
ΔfH°gas 401.74 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 116.14 kJ/mol Relay (1.0) Calculated Property
IE 7.62 eV Relay (1.0) Calculated Property
logPoct/wat 1.805 Crippen Calculated Property
McVol 149.650 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

As-triazino[5,6-b]indole, 3-(3'-hydroxypropylamino)-5-methyl-. 5-Hydroxytryptophan, methyl, 3-PFP. Carteolol hydroxy, acetylated. Aflatoxin G2. Nalbuphine, O,O,O-tris(trimethylsilyl) deriv.. Oxycodone tms derivative. Tazettine. Naltrexone. Cytidine, etho-oxime-TMS derivative. guanosine, TMS. N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. 2'-Deoxyguanosine, N-trimethylsilyl-, tris(trimethylsilyl) ether. inosine-5'-monophosphate, TMS. Adenosine, 5'-S-methyl-5'-thio-N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-.

Find more compounds similar to As-triazino[5,6-b]indole-3-thiol, 5-methyl-.

Sources

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