Home Bromides 1000576-47-5
1000576-47-5,MFCD09870070
Catalog No.:AA0000OA
1000576-47-5 | Benzene, 1-bromo-3-[(cyclopropylmethyl)thio]-
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Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$30.00
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5g
98%
in stock  
$134.00
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25g
98%
in stock  
$467.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0000OA
Chemical Name:
Benzene, 1-bromo-3-[(cyclopropylmethyl)thio]-
CAS Number:
1000576-47-5
Molecular Formula:
C10H11BrS
Molecular Weight:
243.1633
MDL Number:
MFCD09870070
IUPAC Name:
1-bromo-3-(cyclopropylmethylsulfanyl)benzene
InChI:
InChI=1S/C10H11BrS/c11-9-2-1-3-10(6-9)12-7-8-4-5-8/h1-3,6,8H,4-5,7H2
InChI Key:
BIDNDPBMKWOGQG-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)SCC1CC1
Properties
Computed Properties
 
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.976g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.162g/mol
Monoisotopic Mass:
241.976g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

Synonyms
 
1000576-47-5 
1-Bromo-3-(cyclopropylmethyl)thiobenzene 
MFCD09870070 
ZINC15444661 
AKOS015835440 
FCH1394605 
RP07229 
TR-038967 
FT-0685432 
Y6754 
A-4030 
Benzene, 1-bromo-3-[(cyclopropylmethyl)thio]- 
(3-Bromophenyl)(cyclopropylmethyl)sulfane 
1-Bromo-3-(cyclopropylmethyl)thiobenzene, AldrichCPR 
I14-24934 
C10H11BrS 
1-bromo-3-[(cyclopropylmethyl)sulfanyl]benzene 
J-504410 
W-204331 
ACMC-2097mc 
CTK3J8467 
DTXSID30650259 
ANW-14146 
Literature
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