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88999-09-1 | Thieno[2,3-b]-1,4-dithiin
CAS No: 88999-09-1 Catalog No: AG0046AA MDL No:
Product Description
Catalog Number:
AG0046AA
Chemical Name:
Thieno[2,3-b]-1,4-dithiin
CAS Number:
88999-09-1
Molecular Formula:
C6H4S3
Molecular Weight:
172.2910
IUPAC Name:
thieno[2,3-b][1,4]dithiine
InChI:
InChI=1S/C6H4S3/c1-2-8-6-5(1)7-3-4-9-6/h1-4H
InChI Key:
IVEJAAZLIOEHDL-UHFFFAOYSA-N
SMILES:
C1=CSc2c(S1)scc2
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.948g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.278g/mol
Monoisotopic Mass:
171.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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