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126764-58-7 | Benzenethiol, 2-amino-3,6-dichloro-
CAS No: 126764-58-7 Catalog No: AG000T81 MDL No:
Product Description
Catalog Number:
AG000T81
Chemical Name:
Benzenethiol, 2-amino-3,6-dichloro-
CAS Number:
126764-58-7
Molecular Formula:
C6H5Cl2NS
Molecular Weight:
194.0816
IUPAC Name:
2-amino-3,6-dichlorobenzenethiol
InChI:
InChI=1S/C6H5Cl2NS/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H,9H2
InChI Key:
JCQMNIPXMHUGBF-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1S)N)Cl
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.952g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.073g/mol
Monoisotopic Mass:
192.952g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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