Chemical Properties of Sulfacarbamide (CAS 547-44-4)

InChI

InChI=1S/C7H9N3O3S/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11/h1-4H,8H2,(H3,9,10,11)

InChI Key

WVAKABMNNSMCDK-UHFFFAOYSA-N

Formula

C7H9N3O3S

SMILES

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

Molecular Weight¹

215.23

CAS

547-44-4

Other Names

• (4-aminophenyl)sulfonylurea
• 1-(4-Aminobenzenesulfonyl)urea
• 1-Sulfanilylurea
• 1-Sulfanylurea
• 4-Amino-N-(aminocarbonyl)benzenesulfonamide
• 4-Sulfacarbamide
• A 435
• Benzenesulfonamide, 4-amino-N-(aminocarbonyl)-
• Euvernil
• N-Sulfanilcarbamide
• NSC 78438
• Sulfanilamide, N1-carbamoyl-
• Sulfanilcarbamid
• Sulfanilylurea
• Sulfanylharnstoff
• Sulfanyluree
• Sulfaurea
• Sulphaurea
• Uractyl
• Uramid
• Urea, sulfanilyl-
• Urenil
• Urosulfan
• Urosulfane
• p-Aminobenzenesulfonylurea

• 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_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• 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	0.8043		Relay (1.0) Calculated Property
ΔfG°	-264.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-441.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.01	kJ/mol	Joback Calculated Property
ΔvapH°	104.62	kJ/mol	Relay (1.0) Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-1.97		Aq. Solubility Prediction
logPoct/wat	-0.374		Crippen Calculated Property
McVol	145.330	ml/mol	McGowan Calculated Property
Pc	6620.58	kPa	Joback Calculated Property
Inp	[2040.40; 2040.40]
Inp	2040.40		NIST
Inp	2040.40		NIST
Tboil	631.69	K	Relay (1.0) Calculated Property
Tc	951.47	K	Relay (1.0) Calculated Property
Tfus	447.94	K	Relay (1.0) Calculated Property
Vc	0.496	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[370.20; 417.17]	J/mol×K	[688.10; 921.34]
Cp,gas	370.20	J/mol×K	688.10	Joback Calculated Property
Cp,gas	380.26	J/mol×K	726.97	Joback Calculated Property
Cp,gas	389.41	J/mol×K	765.85	Joback Calculated Property
Cp,gas	397.67	J/mol×K	804.72	Joback Calculated Property
Cp,gas	405.03	J/mol×K	843.59	Joback Calculated Property
Cp,gas	411.53	J/mol×K	882.47	Joback Calculated Property
Cp,gas	417.17	J/mol×K	921.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sulfacarbamide.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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