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Home Halogens 2-(3,4-Dichloro-benzyl)-isothiourea hydrochloride

2-(3,4-Dichloro-benzyl)-isothiourea hydrochloride

CAS No.:
22816-60-0
Catalog Number:
AG00BKT3
Molecular Formula:
C8H9Cl3N2S
Molecular Weight:
271.5945
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$119
- +
Product Description
Catalog Number:
AG00BKT3
Chemical Name:
2-(3,4-Dichloro-benzyl)-isothiourea hydrochloride
CAS Number:
22816-60-0
Molecular Formula:
C8H9Cl3N2S
Molecular Weight:
271.5945
MDL Number:
MFCD00035050
IUPAC Name:
(3,4-dichlorophenyl)methyl carbamimidothioate;hydrochloride
InChI:
InChI=1S/C8H8Cl2N2S.ClH/c9-6-2-1-5(3-7(6)10)4-13-8(11)12;/h1-3H,4H2,(H3,11,12);1H
InChI Key:
VBJNMXMOMSWRDV-UHFFFAOYSA-N
SMILES:
NC(=N)SCc1ccc(c(c1)Cl)Cl.Cl
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.955g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
271.584g/mol
Monoisotopic Mass:
269.955g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
S-benzylisothiourea derivatives as small-molecule inhibitors of indoleamine-2,3-dioxygenase. Bioorganic & medicinal chemistry letters 20100901
Properties