BCX 1470 supplier | CasNO.217099-44-0

Name
2-Thiophenecarboxylic acid 2-(aminoiminomethyl)benzo[b]thiophen-6-yl ester methanesulfonate (1:1)
EINECS
CAS No. 217099-44-0
Density
Solubility
Melting Point
Formula C₁₄H₁₀N₂O₂S₂^.CH₄O₃S
Boiling Point 509.9 °C at 760 mmHg
Molecular Weight 398.47
Flash Point 262.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms BCX 1470
PSA 195.40000
LogP 4.85090

BCX 1470 Specification

The 2-Thiophenecarboxylic acid 2-(aminoiminomethyl)benzo[b]thiophen-6-yl ester methanesulfonate (1:1), with the CAS registry number 217099-44-0, is also known as 2-Thiophenecarboxylic acid 2-(aminoiminomethyl)benzo[b]thiophen-6-yl ester methanesulfonate (1:1). This chemical's molecular formula is C₁₄H₁₀N₂O₂S₂^.CH₄O₃S and molecular weight is 398.47. Its systematic name is called 2-carbamimidoyl-1-benzothiophen-6-yl thiophene-2-carboxylate methanesulfonate (1:1).

Physical properties of 2-Thiophenecarboxylic acid 2-(aminoiminomethyl)benzo[b]thiophen-6-yl ester methanesulfonate (1:1): (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 30; (8)ACD/KOC (pH 7.4): 32; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Flash Point: 262.2 °C; (13)Enthalpy of Vaporization: 78.06 kJ/mol; (14)Boiling Point: 509.9 °C at 760 mmHg; (15)Vapour Pressure: 1.62E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)C.O=C(Oc2ccc1c(sc(c1)C(=[N@H])N)c2)c3sccc3
(2)InChI: InChI=1/C14H10N2O2S2.CH4O3S/c15-13(16)12-6-8-3-4-9(7-11(8)20-12)18-14(17)10-2-1-5-19-10;1-5(2,3)4/h1-7H,(H3,15,16);1H3,(H,2,3,4)
(3)InChIKey: MCPAUXMAIOICMC-UHFFFAOYAP

Product Name

2-Thiophenecarboxylic acid 2-(aminoiminomethyl)benzo[b]thiophen-6-yl ester methanesulfonate (1:1)

BCX 1470 Specification

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