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Home > Other Heterocycles > 157420-50-3
157420-50-3 | Spiro[cyclopropane-1,6'(7'H)-[1H,3H,5H]pyrazolo[1,2-c][1,3,4]thiadiazole] (9CI)
CAS No: 157420-50-3 Catalog No: AG001PFH MDL No:
Product Description
Catalog Number:
AG001PFH
Chemical Name:
Spiro[cyclopropane-1,6'(7'H)-[1H,3H,5H]pyrazolo[1,2-c][1,3,4]thiadiazole] (9CI)
CAS Number:
157420-50-3
Molecular Formula:
C7H12N2S
Molecular Weight:
156.2486
IUPAC Name:
spiro[1,3,5,7-tetrahydropyrazolo[1,2-c][1,3,4]thiadiazole-6,1'-cyclopropane]
InChI:
InChI=1S/C7H12N2S/c1-2-7(1)3-8-5-10-6-9(8)4-7/h1-6H2
InChI Key:
PHIVIXPXLLMHOO-UHFFFAOYSA-N
SMILES:
S1CN2N(C1)CC1(C2)CC1
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.072g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.247g/mol
Monoisotopic Mass:
156.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
31.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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