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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8414		Relay (1.0) Calculated Property
ΔfG°	68.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-211.22	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	112.57	kJ/mol	Relay (1.0) Calculated Property
IE	7.88	eV	Relay (1.0) Calculated Property
log10WS	[-1.99; -1.98]
log10WS	-1.98		Aq. Solubility Prediction
log10WS	-1.99		Estimated Solubility
logPoct/wat	-0.559		Crippen Calculated Property
McVol	149.440	ml/mol	McGowan Calculated Property
Pc	4290.33	kPa	Relay (1.0-beta) Calculated Property
Tboil	638.06	K	Relay (1.0) Calculated Property
Tc	989.62	K	Relay (1.0) Calculated Property
Tfus	464.65	K	Aq. Solubility Prediction
Vc	0.496	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[82.75; 394.35]	J/mol×K	[100.12; 718.57]
Cp,gas	82.75	J/mol×K	100.12	Joback Calculated Property
Cp,gas	82.75	J/mol×K	100.12	Joback Calculated Property
Cp,gas	82.75	J/mol×K	100.12	Joback Calculated Property
Cp,gas	82.75	J/mol×K	100.12	Joback Calculated Property
Cp,gas	82.75	J/mol×K	100.12	Joback Calculated Property
Cp,gas	82.75	J/mol×K	100.12	Joback Calculated Property
Cp,gas	394.35	J/mol×K	718.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sulfaguanidine.

Sources

• 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
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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