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122243-45-2 | 1,2-DITHIIN-3,6-DIAMINE
CAS No: 122243-45-2 Catalog No: AG0016Z5 MDL No:MFCD18805019
Product Description
Catalog Number:
AG0016Z5
Chemical Name:
1,2-DITHIIN-3,6-DIAMINE
CAS Number:
122243-45-2
Molecular Formula:
C4H6N2S2
Molecular Weight:
146.2338
MDL Number:
MFCD18805019
IUPAC Name:
dithiine-3,6-diamine
InChI:
InChI=1S/C4H6N2S2/c5-3-1-2-4(6)8-7-3/h1-2H,5-6H2
InChI Key:
IBSLDZALVKQSFI-UHFFFAOYSA-N
SMILES:
NC1=CC=C(SS1)N
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.997g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
146.226g/mol
Monoisotopic Mass:
145.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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