CAS No.2770-93-6,2-(2-pyridyl)isothiourea N-oxide hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2770-93-6
Name:	2-(2-pyridyl)isothiourea N-oxide hydrochloride

Formula:	C₆H₇N₃OS.ClH
Molecular Weight:	205.6652
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;
EINECS:	220-465-5
Boiling Point:	357.6 °C at 760 mmHg
Flash Point:	170.1 °C
PSA:	91.47000
LogP:	2.77660

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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