3-Phenylthiophene CAS NO.2404-87-7

1. Introduction of3-Phenylthiophene

The 3-Phenylthiophene, with its CAS NO2404-87-7, is a kind of…

 1. Introduction of 3-Phenylthiophene

 

The 3-Phenylthiophene, with its CAS NO 2404-87-7, is a kind of white or light yellow powder. It has synonyms of Thiophene, 3-phenyl-. 3-Phenylthiophene should be stored in shady and cool warehouse.

 

2. Properties of 3-Phenylthiophene

 

(1) XLogP3-AA 3.2  (2) H-Bond Acceptor 1 (3) Rotatable Bond Count 1 
(4) Exact Mass 160.034671 (5) MonoIsotopic Mass 160.034671 
(6) Topological Polar Surface Area 28.2 (7) Heavy Atom Count 11 
(8) Complexity 116 (9) Covalently-Bonded Unit Count 1 
(10) Feature 3D Ring Count 2 (11) Effective Rotor Count 1 
(12) Conformer Sampling RMSD 0.4 (13) CID Conformer Count 2
 

3. Structure descriptors of 3-Phenylthiophene

 

IUPAC Name: 3-phenylthiophene

InChI: InChI=1S/C10H8S/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8H

InChIKey: ZDQZVKVIYAPRON-UHFFFAOYSA-N

Canonical SMILES : C1=CC=C(C=C1)C2=CSC=C2