Alisol B acetate CAS NO.26575-95-1

he Asulam sodium salt, with the CAS registry number 2302-17-2, has the systematic name of carbamic acid, N-[(4-aminophenyl)sulfonyl]-, methyl ester, sodium salt (1:1). It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C₈H₁₀N₂NaO₄S.

The characteristics of Asulam sodium salt are as followings: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.02; (4)ACD/LogD (pH 7.4): -2.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.56; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 75.3 Å².

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].O=S(=O)(c1ccc(N)cc1)NC(=O)OC
(2)InChI: InChI=1/C8H10N2O4S.Na/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7;/h2-5H,9H2,1H3,(H,10,11);/q;+1
(3)InChIKey: PEXLHWBDBQUUOG-UHFFFAOYAC

The toxicity data is as follows:

he Asulam sodium salt, with the CAS registry number 2302-17-2, has the systematic name of carbamic acid, N-[(4-aminophenyl)sulfonyl]-, methyl ester, sodium salt (1:1). It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C₈H₁₀N₂NaO₄S.

The characteristics of Asulam sodium salt are as followings: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.02; (4)ACD/LogD (pH 7.4): -2.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.56; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 75.3 Å².

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].O=S(=O)(c1ccc(N)cc1)NC(=O)OC
(2)InChI: InChI=1/C8H10N2O4S.Na/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7;/h2-5H,9H2,1H3,(H,10,11);/q;+1
(3)InChIKey: PEXLHWBDBQUUOG-UHFFFAOYAC

The toxicity data is as follows: