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Home Other Building Blocks 2-Thiopheneethanol

2-Thiopheneethanol

CAS No.:
5402-55-1
Catalog Number:
AG0033G0
Molecular Formula:
C6H8OS
Molecular Weight:
128.1921
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG0033G0
Chemical Name:
2-Thiopheneethanol
CAS Number:
5402-55-1
Molecular Formula:
C6H8OS
Molecular Weight:
128.1921
MDL Number:
MFCD00005462
IUPAC Name:
2-thiophen-2-ylethanol
InChI:
InChI=1S/C6H8OS/c7-4-3-6-2-1-5-8-6/h1-2,5,7H,3-4H2
InChI Key:
VMJOFTHFJMLIKL-UHFFFAOYSA-N
SMILES:
OCCc1cccs1
EC Number:
226-452-0
NSC Number:
5136
Properties
Complexity:
65.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.03g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
128.189g/mol
Monoisotopic Mass:
128.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
2-(Thio-phen-2-yl)ethyl 4-methyl-benzene-sulfonate. Acta crystallographica. Section E, Structure reports online 20110701
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties