Home Other Building Blocks 2,5-Dimethylbenzenethiol

2,5-Dimethylbenzenethiol

CAS No.:
4001-61-0
Catalog Number:
AG003FZP
Molecular Formula:
C8H10S
Molecular Weight:
138.2300
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$52
- +
5g
97%
1 week
United States
$66
- +
Product Description
Catalog Number:
AG003FZP
Chemical Name:
2,5-Dimethylbenzenethiol
CAS Number:
4001-61-0
Molecular Formula:
C8H10S
Molecular Weight:
138.2300
MDL Number:
MFCD00010020
IUPAC Name:
2,5-dimethylbenzenethiol
InChI:
InChI=1S/C8H10S/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
InChI Key:
NHAUBUMQRJWWAT-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)S)C
EC Number:
223-649-3
Properties
Complexity:
90.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.05g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
138.228g/mol
Monoisotopic Mass:
138.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties