Home Other Building Blocks 2-Isopropylbenzenethiol

2-Isopropylbenzenethiol

CAS No.:
6262-87-9
Catalog Number:
AG003HHQ
Molecular Formula:
C9H12S
Molecular Weight:
152.2566
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>95.0%(GC)
1 week
United States
$271
- +
Product Description
Catalog Number:
AG003HHQ
Chemical Name:
2-Isopropylbenzenethiol
CAS Number:
6262-87-9
Molecular Formula:
C9H12S
Molecular Weight:
152.2566
MDL Number:
MFCD00004837
IUPAC Name:
2-propan-2-ylbenzenethiol
InChI:
InChI=1S/C9H12S/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
InChI Key:
QEDRUXIMTJVXFL-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1S)C
NSC Number:
47204
Properties
Complexity:
98.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.066g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
152.255g/mol
Monoisotopic Mass:
152.066g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
4D-QSAR analysis of a set of propofol analogues: mapping binding sites for an anesthetic phenol on the GABA(A) receptor. Journal of medicinal chemistry 20020718
Properties