200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1208076-69-0
1208076-69-0 | 4-Chloro-3-(trifluoromethyl)benzyl mercaptan
CAS No: 1208076-69-0 Catalog No: AG01FAKH MDL No:MFCD12026300
Product Description
Catalog Number:
AG01FAKH
Chemical Name:
4-Chloro-3-(trifluoromethyl)benzyl mercaptan
CAS Number:
1208076-69-0
Molecular Formula:
C8H6ClF3S
Molecular Weight:
226.6464
MDL Number:
MFCD12026300
IUPAC Name:
[4-chloro-3-(trifluoromethyl)phenyl]methanethiol
InChI:
InChI=1S/C8H6ClF3S/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3,13H,4H2
InChI Key:
GYYLYTGRXWQYJQ-UHFFFAOYSA-N
SMILES:
SCc1ccc(c(c1)C(F)(F)F)Cl
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.983g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.641g/mol
Monoisotopic Mass:
225.983g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
© 2019 Angene International Limited. All rights Reserved.