Home Other Building Blocks 2-Thiohydantoin

2-Thiohydantoin

CAS No.:
503-87-7
Catalog Number:
AG003HY4
Molecular Formula:
C3H4N2OS
Molecular Weight:
116.1417
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$38
- +
25g
95%
In Stock USA
United States
$150
- +
100g
95%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG003HY4
Chemical Name:
2-Thiohydantoin
CAS Number:
503-87-7
Molecular Formula:
C3H4N2OS
Molecular Weight:
116.1417
MDL Number:
MFCD00005277
IUPAC Name:
2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C3H4N2OS/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)
InChI Key:
UGWULZWUXSCWPX-UHFFFAOYSA-N
SMILES:
O=C1CNC(=S)N1
EC Number:
207-977-4
UNII:
CP2PH1A61R
NSC Number:
11772
Properties
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.004g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
116.138g/mol
Monoisotopic Mass:
116.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Literature
Title Journal
Privileged scaffolds or promiscuous binders: a comparative study on rhodanines and related heterocycles in medicinal chemistry. Journal of medicinal chemistry 20120126
Properties