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121027-25-6 | 2-(4-Chlorophenyl)ethanethiol
CAS No: 121027-25-6 Catalog No: AG01FF5D MDL No:
Product Description
Catalog Number:
AG01FF5D
Chemical Name:
2-(4-Chlorophenyl)ethanethiol
CAS Number:
121027-25-6
Molecular Formula:
C8H9ClS
Molecular Weight:
172.6751
IUPAC Name:
2-(4-chlorophenyl)ethanethiol
InChI:
InChI=1S/C8H9ClS/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
InChI Key:
KNYGFXLKCJPSBA-UHFFFAOYSA-N
SMILES:
SCCc1ccc(cc1)Cl
Properties
Complexity:
87.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.011g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.67g/mol
Monoisotopic Mass:
172.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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