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1267263-12-6 | 2-(3-Chlorophenyl)ethanethiol
CAS No: 1267263-12-6 Catalog No: AG01FF5P MDL No:
Product Description
Catalog Number:
AG01FF5P
Chemical Name:
2-(3-Chlorophenyl)ethanethiol
CAS Number:
1267263-12-6
Molecular Formula:
C8H9ClS
Molecular Weight:
172.6751
IUPAC Name:
2-(3-chlorophenyl)ethanethiol
InChI:
InChI=1S/C8H9ClS/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
InChI Key:
VZNQYQKVSCPFHL-UHFFFAOYSA-N
SMILES:
SCCc1cccc(c1)Cl
Properties
Complexity:
95.3
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:
3.5
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