Chemical Properties of 6-Methyl, 2-methylmercapto-4-oxo-1,3,3a,7-tetrazaindene (CAS 89853-03-2)

6-Methyl, 2-methylmercapto-4-oxo-1,3,3a,7-tetrazaindene

InChI
InChI=1S/C7H8N4OS/c1-4-3-5(12)11-6(8-4)9-7(10-11)13-2/h3H,1-2H3,(H,8,9,10)
InChI Key
DITIBSDLGMCMTP-UHFFFAOYSA-N
Formula
C7H8N4OS
SMILES
CSc1nc2[nH]c(C)cc(=O)n2n1
Molecular Weight1
196.23
CAS
89853-03-2
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Physical Properties

Property Value Unit Source
ω 0.5618 Relay (1.0) Calculated Property
ΔfG° 243.55 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 112.71 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 108.41 kJ/mol Relay (1.0) Calculated Property
IE 8.12 eV Relay (1.0) Calculated Property
log10WS -2.15 Relay (1.0) Calculated Property
logPoct/wat -0.034 Crippen Calculated Property
McVol 132.710 ml/mol McGowan Calculated Property
Pc 4875.42 kPa Relay (1.0-beta) Calculated Property
Tboil 609.95 K Relay (1.0) Calculated Property
Tc 910.42 K Relay (1.0) Calculated Property
Tfus 525.78 K Relay (1.0) Calculated Property
Vc 0.507 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

2-Amino-6-methyl-4-oxo-1,3,3a,7-tetrazaindene. Carteolol, PFB-TMS. Uridine, 2',3',5'-tris-O-acetyl. Benzquinamide. Uridine, 2',5'-bis-O-acetyl, 3'-O-TBDMS. Morazone. Metopon. 10-Methoxy-14-methyl-5-oxo-5,7,8,14-tetrahydro-indolo-[2,3-c]-quinazo-[3,2,a]-pyridine. 5-O-benzoyl-n-benzyl-2,3-o-(1-methylethylidene)-n-(trifluoroacetyl)pentofuranosylamine. Uridine, 2'-O-TBDMS, 3',5'-bis-O-acetyl. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Uridine, 2'-O-acetyl, 3',5'-bis-O-TBDMS. Retroisosenine. Uridine, 2'-O-TBDMS, 3'-O-acetyl, 5'-O-TBDMS. Oxycodone.

Find more compounds similar to 6-Methyl, 2-methylmercapto-4-oxo-1,3,3a,7-tetrazaindene.

Sources

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