sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks S-Benzylisothiourea Hydrochloride

S-Benzylisothiourea Hydrochloride

CAS No.:
538-28-3
Catalog Number:
AG0038O8
Molecular Formula:
C8H11ClN2S
Molecular Weight:
202.7043
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$146
- +
5g
97%
In Stock USA
United States
$191
- +
Product Description
Catalog Number:
AG0038O8
Chemical Name:
S-Benzylisothiourea Hydrochloride
CAS Number:
538-28-3
Molecular Formula:
C8H11ClN2S
Molecular Weight:
202.7043
MDL Number:
MFCD00012583
IUPAC Name:
benzyl carbamimidothioate;hydrochloride
InChI:
InChI=1S/C8H10N2S.ClH/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H3,9,10);1H
InChI Key:
WJAASTDRAAMYNK-UHFFFAOYSA-N
SMILES:
NC(=N)SCc1ccccc1.Cl
EC Number:
208-688-6
UNII:
QJ9N8049ND
Properties
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.033g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
202.7g/mol
Monoisotopic Mass:
202.033g/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