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125113-35-1 | 5H-1,3-Dithiolo[4,5-c]pyrrole, 2-(5H-1,3-dithiolo[4,5-c]pyrrol-2-ylidene)-
CAS No: 125113-35-1 Catalog No: AG000N85 MDL No:
Product Description
Catalog Number:
AG000N85
Chemical Name:
5H-1,3-Dithiolo[4,5-c]pyrrole, 2-(5H-1,3-dithiolo[4,5-c]pyrrol-2-ylidene)-
CAS Number:
125113-35-1
Molecular Formula:
C10H6N2S4
Molecular Weight:
282.4280
IUPAC Name:
2-(5H-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene)-5H-[1,3]dithiolo[4,5-c]pyrrole
InChI:
InChI=1S/C10H6N2S4/c1-5-6(2-11-1)14-9(13-5)10-15-7-3-12-4-8(7)16-10/h1-4,11-12H
InChI Key:
LORPDCNBXJCIRM-UHFFFAOYSA-N
SMILES:
[nH]1cc2c(c1)sc(=c1sc3c(s1)c[nH]c3)s2
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.941g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.412g/mol
Monoisotopic Mass:
281.941g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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