-
Name
2-(2-pyridyl)isothiourea N-oxide hydrochloride
- EINECS 220-465-5
- CAS No. 2770-93-6
- Density
- Solubility
- Melting Point
- Formula C6H7N3OS.ClH
- Boiling Point 357.6 °C at 760 mmHg
- Molecular Weight 205.6652
- Flash Point 170.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Carbamimidothioicacid, 2-pyridinyl ester, N-oxide, monohydrochloride;Pseudourea,2-(2-pyridyl)-2-thio-, N-oxide, monohydrochloride (8CI);S-(2-Pyridyl)isothiuronium N-oxide hydrochloride;
- PSA 91.47000
- LogP 2.77660
Carbamimidothioic acid,1-oxido-2-pyridinyl ester, monohydrochloride (9CI) Specification
The CAS register number of Carbamimidothioic acid,1-oxido-2-pyridinyl ester, monohydrochloride (9CI) is 2770-93-6. It also can be called as S-(2-Pyridyl)isothiuronium N-oxide hydrochloride and the systematic name about this chemical is oxido-(2-pyridylsulfanylcarbonimidoyl)ammonium hydrochloride. The molecular formula about this chemical is C6H7N3OS.ClH and the molecular weight is 205.6652.
Physical properties about Carbamimidothioic acid,1-oxido-2-pyridinyl ester, monohydrochloride (9CI) are: (1)ACD/LogP: 0.20; (2)ACD/LogD (pH 5.5): 0.06; (3)ACD/LogD (pH 7.4): 0.07; (4)#H bond acceptors: 4; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 79.11 Å2; (8)Flash Point: 170.1 °C; (9)Enthalpy of Vaporization: 63.63 kJ/mol; (10)Boiling Point: 357.6 °C at 760 mmHg; (11)Vapour Pressure: 9.78E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.N=C(Sc1ccccn1)[NH2+][O-]
(2)InChI: InChI=1/C6H7N3OS.ClH/c7-6(9-10)11-5-3-1-2-4-8-5;/h1-4,7H,9H2;1H
(3)InChIKey: IAKAVJOAOWGKJV-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H7N3OS.ClH/c7-6(9-10)11-5-3-1-2-4-8-5;/h1-4,7H,9H2;1H
(5)Std. InChIKey: IAKAVJOAOWGKJV-UHFFFAOYSA-N
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