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Thioindigo

Catalog Number
ACM522758-1
Product Name
Thioindigo
Structure
CAS
522-75-8
Category
Photochromic Materials
IUPAC Name
(2E)-2-(3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
Molecular Weight
296.4g/mol
Molecular Formula
C16H8O2S2
SMILES
C1=CC=C2C(=C1)C(=O)C(=C3C(=O)C4=CC=CC=C4S3)S2
InChI
InChI=1S/C16H8O2S2/c17-13-9-5-1-3-7-11(9)19-15(13)16-14(18)10-6-2-4-8-12(10)20-16/h1-8H/b16-15+
InChIKey
JOUDBUYBGJYFFP-FOCLMDBBSA-N
EC Number
208-336-1
Status
0
Complexity
453
Formal Charge
0
Exact Mass
295.996572g/mol
Monoisotopic Mass
295.996572g/mol
XLogP3
4.1
MeSH Entry Terms
(delta-2,2'(3H,3'H)-bibenzo(b)thiophene)-3,3'-dione;thioindigo
Covalently-Bonded Unit Count
1
Heavy Atom Count
20
Rotatable Bond Count
0
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