Home Other Building Blocks 4-(1H-PYRAZOL-1-YL)PHENYL ISOTHIOCYANATE

4-(1H-PYRAZOL-1-YL)PHENYL ISOTHIOCYANATE

CAS No.:
352018-96-3
Catalog Number:
AG00C8IM
Molecular Formula:
C10H7N3S
Molecular Weight:
201.2477
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Product Description
Catalog Number:
AG00C8IM
Chemical Name:
4-(1H-PYRAZOL-1-YL)PHENYL ISOTHIOCYANATE
CAS Number:
352018-96-3
Molecular Formula:
C10H7N3S
Molecular Weight:
201.2477
MDL Number:
MFCD02681939
IUPAC Name:
1-(4-isothiocyanatophenyl)pyrazole
InChI:
InChI=1S/C10H7N3S/c14-8-11-9-2-4-10(5-3-9)13-7-1-6-12-13/h1-7H
InChI Key:
GLAOJNMWLIFKCG-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)n1cccn1
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.036g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.247g/mol
Monoisotopic Mass:
201.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties