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Home Halogens 2-Amino-4-chlorothiophenol

2-Amino-4-chlorothiophenol

CAS No.:
1004-00-8
Catalog Number:
AG0001WH
Molecular Formula:
C6H6ClNS
Molecular Weight:
159.6365
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$23
- +
25g
95%
In Stock USA
United States
$63
- +
100g
95%
In Stock USA
United States
$207
- +
Product Description
Catalog Number:
AG0001WH
Chemical Name:
2-Amino-4-chlorothiophenol
CAS Number:
1004-00-8
Molecular Formula:
C6H6ClNS
Molecular Weight:
159.6365
MDL Number:
MFCD00792528
IUPAC Name:
2-amino-4-chlorobenzenethiol
InChI:
InChI=1S/C6H6ClNS/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
InChI Key:
NGIRMPARLVGMPX-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)N)S
Properties
Complexity:
99.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.991g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
159.631g/mol
Monoisotopic Mass:
158.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
5-Chloro-4'-ethyl-3H-spiro-[1,3-benzo-thia-zole-2,1'-cyclo-hexa-ne]. Acta crystallographica. Section E, Structure reports online 20120501
4'-tert-Butyl-5-chloro-3H-spiro-[1,3-benzothia-zole-2,1'-cyclo-hexa-ne]. Acta crystallographica. Section E, Structure reports online 20120501
Properties