Identification and Related Records
- 【CAS Registry number】
- 43210-67-9
- 【Synonyms】
-
Carbamicacid, [5-(phenylthio)-1H-benzimidazol-2-yl]-, methyl ester (9CI)
2-(Methoxycarbonylamino)-5-(phenylthio)benzimidazole
Axilur
Fenbendazol
Fenbion
HOE 881
Methyl5-(phenylthio)-2-benzimidazolecarbamate
Methyl[5-(phenylthio)-1H-benzimidazol-2-yl]carbamate
Panacur
Safe-Guard
- 【EINECS(EC#)】
- 256-145-7
- 【Molecular Formula】
- C15H13N3O2S (Products with the same molecular formula)
- 【Inchi】
- InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
43210-67-9.mol
Chemical and Physical Properties
- 【Solubilities】
- Insoluble Appearance:white to yellowish powder
Transport Information:HAZARD
Hazard Symbols:UN NO.
Deleted CAS:53571-02-1
- 【Computed Properties】
- Molecular Weight:299.34762 [g/mol]
Molecular Formula:C15H13N3O2S
XLogP3:3.6
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:4
Tautomer Count:5
Exact Mass:299.072847
MonoIsotopic Mass:299.072847
Topological Polar Surface Area:92.3
Heavy Atom Count:21
Formal Charge:0
Complexity:363
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:2
Feature 3D Ring Count:3
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:20