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Home Other Building Blocks 4-Chlorobenzyl mercaptan

4-Chlorobenzyl mercaptan

CAS No.:
6258-66-8
Catalog Number:
AG0033ZV
Molecular Formula:
C7H7ClS
Molecular Weight:
158.6485
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$48
- +
5g
95%
In Stock USA
United States
$71
- +
25g
95%
In Stock USA
United States
$148
- +
Product Description
Catalog Number:
AG0033ZV
Chemical Name:
4-Chlorobenzyl mercaptan
CAS Number:
6258-66-8
Molecular Formula:
C7H7ClS
Molecular Weight:
158.6485
MDL Number:
MFCD00004870
IUPAC Name:
(4-chlorophenyl)methanethiol
InChI:
InChI=1S/C7H7ClS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChI Key:
GKQXPTHQTXCXEV-UHFFFAOYSA-N
SMILES:
SCc1ccc(cc1)Cl
EC Number:
228-395-7
NSC Number:
108735
Properties
Complexity:
77  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.996g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.643g/mol
Monoisotopic Mass:
157.996g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
S-benzylisothiourea derivatives as small-molecule inhibitors of indoleamine-2,3-dioxygenase. Bioorganic & medicinal chemistry letters 20100901
Chemical genomics in Escherichia coli identifies an inhibitor of bacterial lipoprotein targeting. Nature chemical biology 20091101
Properties