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265-31-6 | 1,4-Dithiino[2,3-d]thiepin (9CI)
CAS No: 265-31-6 Catalog No: AG002THA MDL No:
Product Description
Catalog Number:
AG002THA
Chemical Name:
1,4-Dithiino[2,3-d]thiepin (9CI)
CAS Number:
265-31-6
Molecular Formula:
C8H6S3
Molecular Weight:
198.3282
IUPAC Name:
[1,4]dithiino[2,3-d]thiepine
InChI:
InChI=1S/C8H6S3/c1-3-9-4-2-8-7(1)10-5-6-11-8/h1-6H
InChI Key:
OXNLZGRMCMULOK-UHFFFAOYSA-N
SMILES:
s1ccc2=c(cc1)sccs2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.963g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.316g/mol
Monoisotopic Mass:
197.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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