Home Other Building Blocks (4-Bromo-2-thienyl)methanol

(4-Bromo-2-thienyl)methanol

CAS No.:
79757-77-0
Catalog Number:
AG003BUP
Molecular Formula:
C5H5BrOS
Molecular Weight:
193.0616
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$40
- +
5g
98%
In Stock USA
United States
$43
- +
10g
98%
In Stock USA
United States
$75
- +
25g
98%
In Stock USA
United States
$157
- +
100g
98%
In Stock USA
United States
$488
- +
Product Description
Catalog Number:
AG003BUP
Chemical Name:
(4-Bromo-2-thienyl)methanol
CAS Number:
79757-77-0
Molecular Formula:
C5H5BrOS
Molecular Weight:
193.0616
MDL Number:
MFCD04115392
IUPAC Name:
(4-bromothiophen-2-yl)methanol
InChI:
InChI=1S/C5H5BrOS/c6-4-1-5(2-7)8-3-4/h1,3,7H,2H2
InChI Key:
PXZNJHHUYJRFPZ-UHFFFAOYSA-N
SMILES:
OCc1cc(cs1)Br
Properties
Complexity:
78.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.924g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.058g/mol
Monoisotopic Mass:
191.924g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Towards more specific O6-methylguanine-DNA methyltransferase (MGMT) inactivators. Bioorganic & medicinal chemistry 20110301
Properties