Home Aminos 3-amino-1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea

3-amino-1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea

CAS No.:
96447-49-3
Catalog Number:
AG00VS66
Molecular Formula:
C12H15N5OS
Molecular Weight:
277.3454
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Product Description
Catalog Number:
AG00VS66
Chemical Name:
3-amino-1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
CAS Number:
96447-49-3
Molecular Formula:
C12H15N5OS
Molecular Weight:
277.3454
MDL Number:
MFCD00433619
IUPAC Name:
1-amino-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea
InChI:
InChI=1S/C12H15N5OS/c1-8-10(14-12(19)15-13)11(18)17(16(8)2)9-6-4-3-5-7-9/h3-7H,13H2,1-2H3,(H2,14,15,19)
InChI Key:
AECZZXCAOYZBRA-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1c(C)n(n(c1=O)c1ccccc1)C
NSC Number:
695067
Properties
Complexity:
416  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.1g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
277.346g/mol
Monoisotopic Mass:
277.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties