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Home Other Building Blocks 2-Chlorobenzenemethanethiol

2-Chlorobenzenemethanethiol

CAS No.:
39718-00-8
Catalog Number:
AG003H1M
Molecular Formula:
C7H7ClS
Molecular Weight:
158.6485
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>98.0%(GC)
1 week
United States
$67
- +
25g
>98.0%(GC)
1 week
United States
$124
- +
Product Description
Catalog Number:
AG003H1M
Chemical Name:
2-Chlorobenzenemethanethiol
CAS Number:
39718-00-8
Molecular Formula:
C7H7ClS
Molecular Weight:
158.6485
MDL Number:
MFCD00004868
IUPAC Name:
(2-chlorophenyl)methanethiol
InChI:
InChI=1S/C7H7ClS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChI Key:
WWFIIZLHSNBNTC-UHFFFAOYSA-N
SMILES:
SCc1ccccc1Cl
EC Number:
254-602-5
Properties
Complexity:
85  
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:
2.6  
Literature
Title Journal
S-benzylisothiourea derivatives as small-molecule inhibitors of indoleamine-2,3-dioxygenase. Bioorganic & medicinal chemistry letters 20100901
Inhibition of inducible nitric oxide synthase expression by a novel small molecule activator of the unfolded protein response. Current chemical genomics 20080101
Synthesis and antibacterial activity of N-[5-(chlorobenzylthio)-1,3,4-thiadiazol-2-yl] piperazinyl quinolone derivatives. Archives of pharmacal research 20070201
Properties