Home Other Building Blocks (1,3-dimethyl-1H-pyrazol-5-yl)thiourea

(1,3-dimethyl-1H-pyrazol-5-yl)thiourea

CAS No.:
72620-48-5
Catalog Number:
AG019L3I
Molecular Formula:
C6H10N4S
Molecular Weight:
170.2354
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Product Description
Catalog Number:
AG019L3I
Chemical Name:
(1,3-dimethyl-1H-pyrazol-5-yl)thiourea
CAS Number:
72620-48-5
Molecular Formula:
C6H10N4S
Molecular Weight:
170.2354
MDL Number:
MFCD09802202
IUPAC Name:
(2,5-dimethylpyrazol-3-yl)thiourea
InChI:
InChI=1S/C6H10N4S/c1-4-3-5(8-6(7)11)10(2)9-4/h3H,1-2H3,(H3,7,8,11)
InChI Key:
DPCYWXJDYRBQRE-UHFFFAOYSA-N
SMILES:
Cn1nc(cc1NC(=S)N)C
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.063g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
170.234g/mol
Monoisotopic Mass:
170.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties