Home Other Building Blocks 4-(4-Chlorophenyl)pyrimidine-2-thiol

4-(4-Chlorophenyl)pyrimidine-2-thiol

CAS No.:
175203-08-4
Catalog Number:
AG0020IT
Molecular Formula:
C10H7ClN2S
Molecular Weight:
222.6940
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$48
- +
5g
98%
In Stock USA
United States
$135
- +
Product Description
Catalog Number:
AG0020IT
Chemical Name:
4-(4-Chlorophenyl)pyrimidine-2-thiol
CAS Number:
175203-08-4
Molecular Formula:
C10H7ClN2S
Molecular Weight:
222.6940
MDL Number:
MFCD00174262
IUPAC Name:
6-(4-chlorophenyl)-1H-pyrimidine-2-thione
InChI:
InChI=1S/C10H7ClN2S/c11-8-3-1-7(2-4-8)9-5-6-12-10(14)13-9/h1-6H,(H,12,13,14)
InChI Key:
TWKIWOOKHPWUIM-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1cc[nH]c(=S)n1
Properties
Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.002g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.69g/mol
Monoisotopic Mass:
222.002g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties