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122738-26-5 | Pyrrolo[3,4-c]pyrrole-1,4-dithione, 3,6-diethyl-2,5-dihydro-
CAS No: 122738-26-5 Catalog No: AG000J8K MDL No:
Product Description
Catalog Number:
AG000J8K
Chemical Name:
Pyrrolo[3,4-c]pyrrole-1,4-dithione, 3,6-diethyl-2,5-dihydro-
CAS Number:
122738-26-5
Molecular Formula:
C10H12N2S2
Molecular Weight:
224.3457
IUPAC Name:
1,4-diethyl-3-sulfanyl-2H-pyrrolo[3,4-c]pyrrole-6-thione
InChI:
InChI=1S/C10H12N2S2/c1-3-5-7-8(10(14)11-5)6(4-2)12-9(7)13/h11,14H,3-4H2,1-2H3
InChI Key:
NVMJYIQZUOFCNR-UHFFFAOYSA-N
SMILES:
CCc1[nH]c(=S)c2c1c(=S)[nH]c2CC
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.044g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.34g/mol
Monoisotopic Mass:
224.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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