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Home >> Chemical Listing >> Page 3127 >> 2-(7H-Purin-8-yl)ethanethiol

2-(7H-Purin-8-yl)ethanethiol
[CAS# 959499-85-5]

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Identification
Name 2-(7H-Purin-8-yl)ethanethiol
Synonyms 2-(9H-purin-8-yl)ethanethiol; Ethanethiol, 2-(purin-8-yl)-
Molecular Structure CAS#: 959499-85-5, 2-(7H-Purin-8-yl)ethanethiol
Molecular Formula C7H8N4S
Molecular Weight 180.23
CAS Registry Number 959499-85-5
SMILES n1cc2c(nc1)nc(n2)CCS
InChI 1S/C7H8N4S/c12-2-1-6-10-5-3-8-4-9-7(5)11-6/h3-4,12H,1-2H2,(H,8,9,10,11)
InChIKey SRFSTFUZPMXDOF-UHFFFAOYSA-N
Properties
Density 1.404g/cm3 (Cal.)
Boiling point 439.543°C at 760 mmHg (Cal.)
Flash point 219.628°C (Cal.)
Refractive index 1.711 (Cal.)
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