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Home Halogens (2,4-Dichlorophenyl)methanethiol

(2,4-Dichlorophenyl)methanethiol

CAS No.:
59293-67-3
Catalog Number:
AG003FR7
Molecular Formula:
C7H6Cl2S
Molecular Weight:
193.0935
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>98.0%(GC)
1 week
United States
$131
- +
25g
>98.0%(GC)
1 week
United States
$353
- +
Product Description
Catalog Number:
AG003FR7
Chemical Name:
(2,4-Dichlorophenyl)methanethiol
CAS Number:
59293-67-3
Molecular Formula:
C7H6Cl2S
Molecular Weight:
193.0935
MDL Number:
MFCD00039650
IUPAC Name:
(2,4-dichlorophenyl)methanethiol
InChI:
InChI=1S/C7H6Cl2S/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
InChI Key:
ZSPXTTVUJDSRNJ-UHFFFAOYSA-N
SMILES:
SCc1ccc(cc1Cl)Cl
EC Number:
261-687-2
NSC Number:
33218
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.957g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.085g/mol
Monoisotopic Mass:
191.957g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Novel indoleamine 2,3-dioxygenase-1 inhibitors from a multistep in silico screen. Bioorganic & medicinal chemistry 20120201
S-benzylisothiourea derivatives as small-molecule inhibitors of indoleamine-2,3-dioxygenase. Bioorganic & medicinal chemistry letters 20100901
Properties