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Home Other Building Blocks 2-Methylbenzo[b]thiophene

2-Methylbenzo[b]thiophene

CAS No.:
1195-14-8
Catalog Number:
AG000IVV
Molecular Formula:
C9H8S
Molecular Weight:
148.2248
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(GC)
1 week
United States
$167
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Product Description
Catalog Number:
AG000IVV
Chemical Name:
2-Methylbenzo[b]thiophene
CAS Number:
1195-14-8
Molecular Formula:
C9H8S
Molecular Weight:
148.2248
MDL Number:
MFCD00216250
IUPAC Name:
2-methyl-1-benzothiophene
InChI:
InChI=1S/C9H8S/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3
InChI Key:
BLZKSRBAQDZAIX-UHFFFAOYSA-N
SMILES:
Cc1cc2c(s1)cccc2
EC Number:
214-792-2
NSC Number:
18869
Properties
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.035g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.223g/mol
Monoisotopic Mass:
148.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Bacterial dioxygenase- and monooxygenase-catalysed sulfoxidation of benzo[b]thiophenes. Organic & biomolecular chemistry 20120128
Sulfur from benzothiophene and alkylbenzothiophenes supports growth of Rhodococcus sp. strain JVH1. Biodegradation 20071001
[Determination and distribution of sulfur compounds in coked gasoline by gas chromatography-sulfur chemiluminescence detection]. Se pu = Chinese journal of chromatography 20070501
Desulfurization of liquid fuels by adsorption on carbon-based sorbents and ultrasound-assisted sorbent regeneration. Langmuir : the ACS journal of surfaces and colloids 20070327
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Re(2)(CO)(10)-promoted S-binding, C-S bond cleavage, and hydrogenation of benzothiophenes: organometallic models for the hydrodesulfurization of thiophenes. Journal of the American Chemical Society 20020227
Physical organic chemistry of transition metal carbene complexes. 23. Kinetic and thermodynamic acidities of cationic benzothienyl- and selenylcarbene complexes of rhenium in aqueous acetonitrile. Journal of the American Chemical Society 20011205
Properties