Home Boronic Acids 1025746-82-0
1025746-82-0,MFCD09025757
Catalog No.:AA0007Q0
1025746-82-0 | 3-(Cyclopropylmethyl)thiophenylboronic acid
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1g
95%
in stock  
$100.00   $70.00
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5g
95%
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$290.00   $203.00
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Technical Information
Catalog Number:
AA0007Q0
Chemical Name:
3-(Cyclopropylmethyl)thiophenylboronic acid
CAS Number:
1025746-82-0
Molecular Formula:
C10H13BO2S
Molecular Weight:
208.0850
MDL Number:
MFCD09025757
IUPAC Name:
[3-(cyclopropylmethylsulfanyl)phenyl]boronic acid
InChI:
InChI=1S/C10H13BO2S/c12-11(13)9-2-1-3-10(6-9)14-7-8-4-5-8/h1-3,6,8,12-13H,4-5,7H2
InChI Key:
MKUPUWRGZDJOQK-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)SCC1CC1)O
Properties
Computed Properties
 
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.073g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
208.082g/mol
Monoisotopic Mass:
208.073g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1025746-82-0 
(3-((Cyclopropylmethyl)thio)phenyl)boronic acid 
TC-068644 
FT-0685369 
Y6839 
A-4202 
3-[(cyclopropylmethyl)sulfanyl]phenylboronic acid 
J-510860 
Boronic acid, B-[3-[(cyclopropylmethyl)thio]phenyl]- 
3-(cyclopropylmethyl)thiophenylboronic acid, AldrichCPR 
3-(Cyclopropylmethyl)thiophenylboronic acid 
2-methoxyethane-1-sulfonamide 
SCHEMBL12538455 
C10H13BO2S 
MFCD09025757 
AKOS015949597 
ZINC169794550 
C2566G1 
RP07244 
OR360165 
AX8025429 
Literature
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