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116592-25-7 | 6H-1,2,3,4,5-Benzopentathiocin (9CI)
CAS No: 116592-25-7 Catalog No: AG000CUI MDL No:
Product Description
Catalog Number:
AG000CUI
Chemical Name:
6H-1,2,3,4,5-Benzopentathiocin (9CI)
CAS Number:
116592-25-7
Molecular Formula:
C7H6S5
Molecular Weight:
250.4475
IUPAC Name:
6H-1,2,3,4,5-benzopentathiocine
InChI:
InChI=1S/C7H6S5/c1-2-4-7-6(3-1)5-8-10-12-11-9-7/h1-4H,5H2
InChI Key:
UHHKZVQZIZHPCQ-UHFFFAOYSA-N
SMILES:
S1SSSc2c(CS1)cccc2
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.907g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.425g/mol
Monoisotopic Mass:
249.907g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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