Home Other Building Blocks 5-Methyl-1,3-benzoxazole-2-thiol

5-Methyl-1,3-benzoxazole-2-thiol

CAS No.:
22876-22-8
Catalog Number:
AG003B8P
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$20
- +
5g
98%
In Stock USA
United States
$72
- +
10g
98%
In Stock USA
United States
$124
- +
25g
98%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG003B8P
Chemical Name:
5-Methyl-1,3-benzoxazole-2-thiol
CAS Number:
22876-22-8
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD00052492
IUPAC Name:
5-methyl-3H-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C8H7NOS/c1-5-2-3-7-6(4-5)9-8(11)10-7/h2-4H,1H3,(H,9,11)
InChI Key:
SSWZUOXLFTXIEZ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)[nH]c(=S)o2
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.025g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties