4-Aminobenzoic acid; (4-nitrophenyl)sulfanylmethanimidamide supplier

Name
4-aminobenzoic acid - 4-nitrophenyl carbamimidothioate (1:1)
EINECS
CAS No. 6326-40-5
Density
Solubility
Melting Point
Formula C₁₄H₁₄N₄O₄S
Boiling Point 369.6 °C at 760 mmHg
Molecular Weight 334.3504
Flash Point 177.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Aminobenzoic acid - 4-nitrophenyl carbamimidothioate (1:1);
PSA
LogP

4-Aminobenzoic acid; (4-nitrophenyl)sulfanylmethanimidamide Specification

The 4-Aminobenzoic acid; (4-nitrophenyl)sulfanylmethanimidamide, with the CAS registry number 6326-40-5, is also known as 4-Aminobenzoic acid - 4-nitrophenyl carbamimidothioate (1:1). This chemical's molecular formula is C₁₄H₁₄N₄O₄S and molecular weight is 334.3504. What's more, its IUPAC name is 4-Aminobenzoic acid; (4-nitrophenyl) carbamimidothioate.

Physical properties about 4-Aminobenzoic acid; (4-nitrophenyl)sulfanylmethanimidamide are: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 86.72 Å²; (7)Flash Point: 177.3 °C; (8)Enthalpy of Vaporization: 61.64 kJ/mol; (9)Boiling Point: 369.6 °C at 760 mmHg; (10)Vapour Pressure: 1.18E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccc(N)cc1.[O-][N+](=O)c1ccc(SC(=[N@H])N)cc1
(2) InChI: InChI=1/C7H7N3O2S.C7H7NO2/c8-7(9)13-6-3-1-5(2-4-6)10(11)12;8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,8,9);1-4H,8H2,(H,9,10)
(3) InChIKey: AUTGOFWFUCEAFV-UHFFFAOYAM

Product Name

4-aminobenzoic acid - 4-nitrophenyl carbamimidothioate (1:1)

4-Aminobenzoic acid; (4-nitrophenyl)sulfanylmethanimidamide Specification

Related Products

Hot Products