Chemical Properties of Sulfaguanidine (CAS 57-67-0)

InChI

InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)

InChI Key

BRBKOPJOKNSWSG-UHFFFAOYSA-N

Formula

C7H10N4O2S

SMILES

N=C(N)NS(=O)(=O)c1ccc(N)cc1

Molecular Weight¹

214.25

CAS

57-67-0

Other Names

• ((4-Aminophenyl)sulfonyl)guanidine
• ((p-Aminophenyl)sulfonyl)guanidine
• 1-((p-Aminophenyl)sulfonyl)guanidine
• 1-Sulfanilylguanidine
• 4-Amino-N-(aminoiminomethyl)benzenesulfonamide
• 4-Amino-N-(diaminomethylene)benzenesulfonamide
• 4-Aminobenzenesulfonylguanidine
• A-307
• Abiguanil
• Aterian
• Benzenesulfonamide, 4-amino-N-(aminoiminomethyl)-
• Benzenesulfonamide, 4-amino-N-(diaminomethylene)-
• Diacta
• Emerin (pharmaceutical)
• Ganidan
• Guamide
• Guanicil
• Guanidan
• Guanidine, sulfanilyl-
• N-1-Amidinosulfanilamide
• N-Guanylsulfanilamide
• N-p-Aminobenzenesulphonylguanidine monohydrate
• N1-Guanidylsulfanilamide
• N1-Guanylsulfanilamide
• Orgaguanidon
• RP 2275
• Resulfon
• Ruocid
• S-Guanidine
• Shigatox
• Suganyl
• Sulfaguamidine
• Sulfaguanidin
• Sulfaguanil
• Sulfaguine
• Sulfanilamide, N(sup1)-amidino-
• Sulfanilamide, N1-(diaminomethylene)-
• Sulfanilamide, N1-amidino-
• Sulfanilguanidine
• Sulfanilylguanidine
• Sulfentidine
• Sulfoguanidine
• Sulfoguanil
• Sulfoguanyl
• Sulfoguenil
• Sulfoquanidine
• Sulgin
• Sulphaguanidine
• p-Aminobenzenesulfoguanidide
• p-Aminobenzenesulfonylguanidine

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	113.32	kJ/mol	Relay (1.0) Calculated Property
IE	7.88	eV	Relay (1.0) Calculated Property
log10WS	-1.98		Aq. Solubility Prediction
logPoct/wat	-0.559		Crippen Calculated Property
McVol	149.440	ml/mol	McGowan Calculated Property
Tfus	[464.65; 464.65]	K
Tfus	464.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	464.65	K	Aq. Solubility Prediction

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[202.15; 446.04]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.30000e-01
Coefficient B			8.72870e-01
Coefficient C			-5.14560e-04
Coefficient D			8.73000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	202.15	J/mol×K	273.00	Calculated Property
Cp,gas	248.70	J/mol×K	353.78	Calculated Property
Cp,gas	289.74	J/mol×K	434.56	Calculated Property
Cp,gas	325.55	J/mol×K	515.33	Calculated Property
Cp,gas	356.40	J/mol×K	596.11	Calculated Property
Cp,gas	382.58	J/mol×K	676.89	Calculated Property
Cp,gas	404.36	J/mol×K	757.67	Calculated Property
Cp,gas	422.01	J/mol×K	838.44	Calculated Property
Cp,gas	435.81	J/mol×K	919.22	Calculated Property
Cp,gas	446.04	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sulfaguanidine.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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