1,4-Dithiapentalene
Catalog Number
ACM251412
CAS
251-41-2
IUPAC Name
Thieno[3,2-b]thiophene
Synonyms
4-Dithiapentalene 1,4-thiophthene
Molecular Weight
140.2
Product Information
Canonical SMILES
C1=CSC2=C1SC=C2
InChI
InChI=1S/C6H4S2/c1-3-7-6-2-4-8-5(1)6/h1-4H
InChI Key
VJYJJHQEVLEOFL-UHFFFAOYSA-N
Boiling Point
223.4±13.0 °C/760mmHg (lit.)
Melting Point
56 °C
Flash Point
63.1±6.0 °C
Purity
95%+
Density
1.4±0.1 g/cm³
Solubility
Soluble in methanol
Appearance
Solid
Complexity
80.5
Covalently-Bonded Unit Count
1
Exact Mass
139.97544247
Heavy Atom Count
8
Monoisotopic Mass
139.97544247
Refractive Index
n20/D 1.729 (lit.)
Topological Polar Surface Area
56.5 Ų
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