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1128-05-8,MFCD00051638
Catalog No.:AA003IQ6
1128-05-8 | 3-Acetylthianaphthene
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
2 weeks  
$343.00   $240.00
- +
2.5g
98%
2 weeks  
$608.00   $425.00
- +
10g
98%
2 weeks  
$1,643.00   $1,150.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA003IQ6
Chemical Name:
3-Acetylthianaphthene
CAS Number:
1128-05-8
Molecular Formula:
C10H8OS
Molecular Weight:
176.2349
MDL Number:
MFCD00051638
IUPAC Name:
1-(1-benzothiophen-3-yl)ethanone
InChI:
InChI=1S/C10H8OS/c1-7(11)9-6-12-10-5-3-2-4-8(9)10/h2-6H,1H3
InChI Key:
ZTTZKDDWXHQKSY-UHFFFAOYSA-N
SMILES:
CC(=O)c1csc2c1cccc2
NSC Number:
3226
Properties
Computed Properties
 
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.233g/mol
Monoisotopic Mass:
176.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Synonyms
 
3-Acetylthianaphthene 
1128-05-8 
NSC 3226 
3-Acetyl benzothiophene 
Ethanone, 1-benzo(b)thien-3-yl- 
Ketone, benzo[b]thien-3-yl methyl 
3-Acetyl benz[b]thiophene 
BRN 0122587 
1-(1-Benzothiophen-3-Yl)Ethan-1-One 
AI3-18374 
ZTTZKDDWXHQKSY-UHFFFAOYSA-N 
1-Benzo[b]thiophen-3-yl-ethanone 
3-Acetylbenzothiophene 
1-(1-benzothiophen-3-yl)ethanone 
3-acetyl thianaphthene 
ACMC-1BVUS 
3-acetylbenzo[b]thiophen 
3-acetyl-1-benzothiophene 
AC1L23KV 
5-17-10-00173 (Beilstein Handbook Reference) 
WLN: T56 DSJ BV1 
AC1Q1K02 
CHEMBL564835 
1-(benzo[b]thiophen-3-yl)ethanone 
SCHEMBL1095746 
1-(benzothiophen-3-yl)ethanone 
DTXSID2074457 
1-(1-Benzothien-3-yl)ethanone 
CTK4F7220 
1-(1-benzothiene-3-yl)ethanone 
NSC3226 
1-Benzo[b]thiophen-3-ylmethanone 
ZINC101099 
1-(1-Benzothien-3-yl)ethanone # 
26168-40-1 
NSC-3226 
Benzo[b]thiophene,3-(2-oxiranyl)- 
CA-504 
MFCD00051638 
SBB066387 
Ethanone, 1-benzo[b]thiophen-3-yl- 
AKOS005202893 
1-(1-benzothiophen-3-yl)-1-ethanone 
MCULE-5544904867 
RP03005 
3-Acetylthionaphthene 
RP23802 
VT20185 
VZ26231 
AN-48653 
LS-87327 
ZB003471 
Ethanone, 1-benzo(b)thien-3-yl- (9CI) 
Ketone, benzo(b)thien-3-yl methyl (8CI) 
TC-169868 
TL8002092 
3-Acetylbenzo[b]thiophene 
FT-0614885 
ST50307777 
Y7084 
168A401 
A802654 
I09-0300 
J-503492 
W-204800 
I01-20763 
C10H8OS 
3-Acetylbenzo(b)thiophene 
C10-H8-O-S 
CID14316 
3-Acetylthianaphthene, 98% - 1G 1g 
KETONE, METHYL 3-THIANAPHTHENYL 
Ethanone, 1-benzo[b]thien-3-yl- 
Literature
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