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860362-65-8 | 3H-Pyrrolizine-3,5(2H)-dithione
CAS No: 860362-65-8 Catalog No: AG004PFC MDL No:
Product Description
Catalog Number:
AG004PFC
Chemical Name:
3H-Pyrrolizine-3,5(2H)-dithione
CAS Number:
860362-65-8
Molecular Formula:
C7H5NS2
Molecular Weight:
167.2513
IUPAC Name:
2H-pyrrolizine-3,5-dithione
InChI:
InChI=1S/C7H5NS2/c9-6-3-1-5-2-4-7(10)8(5)6/h1-3H,4H2
InChI Key:
DJCUMQBBQJEGLV-UHFFFAOYSA-N
SMILES:
S=C1CC=C2N1C(=S)C=C2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.986g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.244g/mol
Monoisotopic Mass:
166.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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