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Home Other Building Blocks 3,4-DICHLOROBENZYL MERCAPTAN

3,4-DICHLOROBENZYL MERCAPTAN

CAS No.:
36480-40-7
Catalog Number:
AG003IG9
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003IG9
Chemical Name:
3,4-DICHLOROBENZYL MERCAPTAN
CAS Number:
36480-40-7
MDL Number:
MFCD00039651
IUPAC Name:
(3,4-dichlorophenyl)methanethiol
InChI:
InChI=1S/C7H6Cl2S/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
InChI Key:
CEGBRSQPRQXALB-UHFFFAOYSA-N
EC Number:
253-054-4
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:
3.7  
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