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Predicted properties of the compound entered.

ID ABNDFSOIUFLJAH-UHFFFAOYSA-N
Formula C8H7NS
IUPAC Name (benzylsulfanyl)carbonitrile
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2
Standard InChIKey (User Input) InChIKey=ABNDFSOIUFLJAH-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers thiocyanatomethylbenzene | 3012-37-1 | B32009_ALDRICH | InChI=1/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H | CHEBI:16017 | Benzyl thiocyanate | C02660 | ZINC01529490 | 4-06-00-02680 (Beilstein Handbook Reference) | STK331791 | AI3-08887 | .alpha.-Thiocyanatotoluene | Benzylthiocyanate | NSC1729 | Solvat 14 | Thiocyanic acid, benzyl ester | Thiocyanic acid, phenylmethyl ester | Toluene, .alpha.-thiocyanato- | Tropeolin | WLN: NCS1R | BRN 1859726 | Benzyl-thiocyanate | Benzylrhodonid | CCRIS 3085 | EINECS 221-144-2 | NSC 130266 | NSC 1729 | Toluene, alpha-thiocyanato- | alpha-Thiocyanatotoluene | 13929_FLUKA | Benzyl rhodanide | NSC130266 | phenylmethyl thiocyanate | AJ-087/40225997
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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