200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 859802-49-6
859802-49-6 | Thiourea,N-(4,5-dihydro-5-oxo-1H-pyrazol-3-yl)-
CAS No: 859802-49-6 Catalog No: AG004M87 MDL No:
Product Description
Catalog Number:
AG004M87
Chemical Name:
Thiourea,N-(4,5-dihydro-5-oxo-1H-pyrazol-3-yl)-
CAS Number:
859802-49-6
Molecular Formula:
C4H6N4OS
Molecular Weight:
158.1816
IUPAC Name:
(E)-(5-oxopyrazolidin-3-ylidene)thiourea
InChI:
InChI=1S/C4H6N4OS/c5-4(10)6-2-1-3(9)8-7-2/h1H2,(H,8,9)(H3,5,6,7,10)
InChI Key:
HSPHAKJFVVUPFW-UHFFFAOYSA-N
SMILES:
NC(=S)NC1=NNC(=O)C1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
158.026g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
158.179g/mol
Monoisotopic Mass:
158.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.