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Home Other Building Blocks 5-Methylbenzo[b]thiophene

5-Methylbenzo[b]thiophene

CAS No.:
14315-14-1
Catalog Number:
AG0034AS
Molecular Formula:
C9H8S
Molecular Weight:
148.2248
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$44
- +
5g
98%
In Stock USA
United States
$175
- +
25g
98%
In Stock USA
United States
$700
- +
Product Description
Catalog Number:
AG0034AS
Chemical Name:
5-Methylbenzo[b]thiophene
CAS Number:
14315-14-1
Molecular Formula:
C9H8S
Molecular Weight:
148.2248
MDL Number:
MFCD00052509
IUPAC Name:
5-methyl-1-benzothiophene
InChI:
InChI=1S/C9H8S/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6H,1H3
InChI Key:
DOHZWDWNQFZIKH-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)ccs2
EC Number:
238-256-2
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
Microbial transformation of benzothiophenes, with carbazole as the auxiliary substrate, by Sphingomonas sp. strain XLDN2-5. Microbiology (Reading, England) 20081201
Optimizing cell permeation of an antibiotic resistance inhibitor for improved efficacy. Journal of medicinal chemistry 20071115
Sorption of heterocyclic organic compounds to reference soils: column studies for process identification. Environmental science & technology 20061001
Properties