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Carbamodithioic acid,(hydroxymethyl)methyl-, monopotassium salt (9CI)

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Name

Carbamodithioic acid,(hydroxymethyl)methyl-, monopotassium salt (9CI)

EINECS 256-921-5
CAS No. 51026-28-9 Density N/A
PSA 80.86000 LogP 0.35040
Solubility N/A Melting Point N/A
Formula C3H6KNOS2 Boiling Point 207.2 °C at 760 mmHg
Molecular Weight 175.3141 Flash Point 79.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 51026-28-9 (BUSAN 40) Hazard Symbols HarmfulXn
Synonyms

Bunema;Bunema M;Busan 40;Nema;

 

Carbamodithioic acid,(hydroxymethyl)methyl-, monopotassium salt (9CI) Specification

The CAS registry number of Carbamodithioic acid,(hydroxymethyl)methyl-, monopotassium salt (9CI) is 51026-28-9. It belongs to the product categories of A-BAlphabetic; Alpha sort; B; BI - BZ; Pesticides&Metabolites. Its EINECS registry number is 256-921-5. This chemical's molecular formula is C3H6KNOS2 and molecular weight is 175.3141. What's more, its IUPAC name is Potassium N-(hydroxymethyl)-N-methylcarbamodithioate and systematic name is Potassium (hydroxymethyl)methylcarbamodithioate. When you are dealing with this chemical, you should be very careful. It is harmful if swallowed and it may cause damage to health.

Physical properties about Carbamodithioic acid,(hydroxymethyl)methyl-, monopotassium salt (9CI) are: (1)ACD/LogP: -0.05; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.94; (4)ACD/LogD (pH 7.4): -3.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 83.36 Å2; (13)Flash Point: 79.1 °C; (14)Enthalpy of Vaporization: 51.59 kJ/mol; (15)Boiling Point: 207.2 °C at 760 mmHg; (16)Vapour Pressure: 0.0533 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [K+].[S-]C(=S)N(C)CO
(2) InChI: InChI=1/C3H7NOS2.K/c1-4(2-5)3(6)7;/h5H,2H2,1H3,(H,6,7);/q;+1/p-1
(3) InChIKey: QDESFMLRHRZCSV-REWHXWOFAF

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