Home Other Building Blocks 4-Butylbenzenethiol

4-Butylbenzenethiol

CAS No.:
4946-15-0
Catalog Number:
AG00DD7P
Molecular Formula:
C10H14S
Molecular Weight:
166.2832
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$948
- +
Product Description
Catalog Number:
AG00DD7P
Chemical Name:
4-Butylbenzenethiol
CAS Number:
4946-15-0
Molecular Formula:
C10H14S
Molecular Weight:
166.2832
MDL Number:
MFCD00040230
IUPAC Name:
4-butylbenzenethiol
InChI:
InChI=1S/C10H14S/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8,11H,2-4H2,1H3
InChI Key:
PVQZSZNJUBQKJW-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)S
Properties
Complexity:
93  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.082g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.282g/mol
Monoisotopic Mass:
166.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties