Home Other Building Blocks 5-(ISOTHIOCYANATOMETHYL)-1-METHYL-1H-PYRAZOLE

5-(ISOTHIOCYANATOMETHYL)-1-METHYL-1H-PYRAZOLE

CAS No.:
1343371-57-2
Catalog Number:
AG01DVBP
Molecular Formula:
C6H7N3S
Molecular Weight:
153.2049
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Product Description
Catalog Number:
AG01DVBP
Chemical Name:
5-(ISOTHIOCYANATOMETHYL)-1-METHYL-1H-PYRAZOLE
CAS Number:
1343371-57-2
Molecular Formula:
C6H7N3S
Molecular Weight:
153.2049
MDL Number:
MFCD18326697
IUPAC Name:
5-(isothiocyanatomethyl)-1-methylpyrazole
InChI:
InChI=1S/C6H7N3S/c1-9-6(2-3-8-9)4-7-5-10/h2-3H,4H2,1H3
InChI Key:
FBBCXHQHFITYKB-UHFFFAOYSA-N
SMILES:
Cn1nccc1CN=C=S
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:
1.6  
Properties