Home Other Building Blocks 1-ethyl-4-isothiocyanato-1H-pyrazole

1-ethyl-4-isothiocyanato-1H-pyrazole

CAS No.:
1006471-59-5
Catalog Number:
AG01A9E7
Molecular Formula:
C6H7N3S
Molecular Weight:
153.2049
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Product Description
Catalog Number:
AG01A9E7
Chemical Name:
1-ethyl-4-isothiocyanato-1H-pyrazole
CAS Number:
1006471-59-5
Molecular Formula:
C6H7N3S
Molecular Weight:
153.2049
MDL Number:
MFCD04969719
IUPAC Name:
1-ethyl-4-isothiocyanatopyrazole
InChI:
InChI=1S/C6H7N3S/c1-2-9-4-6(3-8-9)7-5-10/h3-4H,2H2,1H3
InChI Key:
MWCHISUUNOOCKK-UHFFFAOYSA-N
SMILES:
S=C=Nc1cnn(c1)CC
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.036g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.203g/mol
Monoisotopic Mass:
153.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties