Home Halogens 3-Amino-4-mercaptobenzotrifluoride, HCl

3-Amino-4-mercaptobenzotrifluoride, HCl

CAS No.:
4274-38-8
Catalog Number:
AG0071OG
Molecular Formula:
C7H7ClF3NS
Molecular Weight:
229.6504
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$50
- +
5g
95%
In Stock USA
United States
$188
- +
25g
95%
In Stock USA
United States
$688
- +
Product Description
Catalog Number:
AG0071OG
Chemical Name:
3-Amino-4-mercaptobenzotrifluoride, HCl
CAS Number:
4274-38-8
Molecular Formula:
C7H7ClF3NS
Molecular Weight:
229.6504
MDL Number:
MFCD00042600
IUPAC Name:
2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride
InChI:
InChI=1S/C7H6F3NS.ClH/c8-7(9,10)4-1-2-6(12)5(11)3-4;/h1-3,12H,11H2;1H
InChI Key:
FIAGYDIJZOWVAB-UHFFFAOYSA-N
SMILES:
Sc1ccc(cc1N)C(F)(F)F.Cl
EC Number:
429-560-8
NSC Number:
277274
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.994g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
229.645g/mol
Monoisotopic Mass:
228.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties