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