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51500-42-6

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Basic Information
CAS No.: 51500-42-6
Name: 1-Benzothiophene 1-oxide
Article Data: 22
Molecular Structure:
Molecular Structure of 51500-42-6 (1-Benzothiophene 1-oxide)
Formula: C8H6OS
Molecular Weight: 150.201
Synonyms: Benzo[b]thiopheneS-oxide;Benzothiophene 1-oxide;NSC 202038;
Density: 1.45g/cm3
Boiling Point: 496.8 oCat760mmHg
Flash Point: 254.2 oC
PSA: 38.77000
LogP: 2.78250
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Specification

The 1-Benzothiophene 1-oxide with the cas number 51500-42-6 is also called Benzo(b)thiophene S-oxide. The molecular formula of this chemical is C8H6OS. The product's category is Pharmaceutical Intermediates. This chemical is a kind of organics. It should be stored in dry and cool environment.

Properties Computed from Structure: (1)XLogP3-AA: 1.3; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 1; (4)Rotatable Bond Count: 0; (5)Exact Mass: 150.013936; (6)MonoIsotopic Mass: 150.013936; (7)Topological Polar Surface Area: 45.3; (8)Heavy Atom Count: 10; (9)Formal Charge: 0; (10)Complexity: 155; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1

You can still convert the following datas into molecular structure:
(1)SMILES: O=s1ccc2c1cccc2
(2)InChI: InChI=1/C8H6OS/c9-10-6-5-7-3-1-2-4-8(7)10/h1-6H