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251568-41-9 | 1H-Cyclopropa[d]pyrrolo[2,1-b]thiazole (9CI)
CAS No: 251568-41-9 Catalog No: AG002QO5 MDL No:
Product Description
Catalog Number:
AG002QO5
Chemical Name:
1H-Cyclopropa[d]pyrrolo[2,1-b]thiazole (9CI)
CAS Number:
251568-41-9
Molecular Formula:
C7H5NS
Molecular Weight:
135.1863
IUPAC Name:
5-thia-1-azatricyclo[4.3.0.02,4]nona-2(4),6,8-triene
InChI:
InChI=1S/C7H5NS/c1-2-7-8(3-1)5-4-6(5)9-7/h1-3H,4H2
InChI Key:
FYGIODNPZWCBHH-UHFFFAOYSA-N
SMILES:
c1cn2c(c1)sc1c2C1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.014g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.184g/mol
Monoisotopic Mass:
135.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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