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1267003-56-4 | 2-(3,4-Dichlorophenyl)ethanethiol
CAS No: 1267003-56-4 Catalog No: AG01FECP MDL No:
Product Description
Catalog Number:
AG01FECP
Chemical Name:
2-(3,4-Dichlorophenyl)ethanethiol
CAS Number:
1267003-56-4
Molecular Formula:
C8H8Cl2S
Molecular Weight:
207.1201
IUPAC Name:
2-(3,4-dichlorophenyl)ethanethiol
InChI:
InChI=1S/C8H8Cl2S/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5,11H,3-4H2
InChI Key:
CNLFYURUBRDFCA-UHFFFAOYSA-N
SMILES:
SCCc1ccc(c(c1)Cl)Cl
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.972g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.112g/mol
Monoisotopic Mass:
205.972g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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