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127198-67-8 | 1,3-Dithiole-2-thione, 4-(2-naphthalenyl)-
CAS No: 127198-67-8 Catalog No: AG000WQQ MDL No:MFCD06656524
Product Description
Catalog Number:
AG000WQQ
Chemical Name:
1,3-Dithiole-2-thione, 4-(2-naphthalenyl)-
CAS Number:
127198-67-8
Molecular Formula:
C13H8S3
Molecular Weight:
260.3976
MDL Number:
MFCD06656524
IUPAC Name:
4-naphthalen-2-yl-1,3-dithiole-2-thione
InChI:
InChI=1S/C13H8S3/c14-13-15-8-12(16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H
InChI Key:
HNIXPUBYMFMJTB-UHFFFAOYSA-N
SMILES:
S=c1scc(s1)c1ccc2c(c1)cccc2
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.979g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.387g/mol
Monoisotopic Mass:
259.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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