7-Amino-3-(1,2,3-triazol-4-ylthio)methyl cephalosporanic acid supplier

Name
7-Amino-3-(1,2,3-triazol-4-ylthio)methyl cephalosporanic acid
EINECS 253-547-4
CAS No. 37539-03-0
Article Data13
CAS DataBase
Density 1.8g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁N₅O₃S₂
Boiling Point 723.3 °C at 760 mmHg
Molecular Weight 313.361
Flash Point 391.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-, (6R-trans)-;1H-1,2,3-Triazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidderiv.;7-Amino-3-(1,2,3-triazol-5-ylthiomethyl)-3-cephem-4-carboxylic acid;
PSA 175.80000
LogP 0.11610

7-Amino-3-(1,2,3-triazol-4-ylthio)methyl cephalosporanic acid Specification

The 7-Amino-3-(1,2,3-triazol-4-ylthio)methyl cephalosporanic acid, with CAS registry number 37539-03-0, belongs to the following product categorie: Organic acids. It has the systematic name of (7R)-7-amino-8-oxo-3-[(1H-1,2,3-triazol-5-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. What's more, its EINECS is 253-547-4.

Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 8; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 175.8 Å²; (6)Index of Refraction: 1.798; (7)Molar Refractivity: 73.94 cm³; (8)Molar Volume: 173.2 cm³; (9)Polarizability: 29.31×10^-24cm³; (10)Surface Tension: 127.3 dyne/cm; (11)Enthalpy of Vaporization: 110.9 kJ/mol; (12)Vapour Pressure: 5.85E-22 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c([nH]nn1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
(2)InChI: InChI=1/C10H11N5O3S2/c11-6-8(16)15-7(10(17)18)4(3-20-9(6)15)2-19-5-1-12-14-13-5/h1,6,9H,2-3,11H2,(H,17,18)(H,12,13,14)/t6-,9?/m1/s1
(3)InChIKey: MLOZJRLUNNFSGD-VJSCVCEBBH
(4)Std. InChI: InChI=1S/C10H11N5O3S2/c11-6-8(16)15-7(10(17)18)4(3-20-9(6)15)2-19-5-1-12-14-13-5/h1,6,9H,2-3,11H2,(H,17,18)(H,12,13,14)/t6-,9?/m1/s1
(5)Std. InChIKey: MLOZJRLUNNFSGD-VJSCVCEBSA-N

Product Name

7-Amino-3-(1,2,3-triazol-4-ylthio)methyl cephalosporanic acid

7-Amino-3-(1,2,3-triazol-4-ylthio)methyl cephalosporanic acid Specification

Related Products

Hot Products