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88917-02-6 | 3,3,4,5-TETRACHLORO-3H-1,2-DITHIOLE
CAS No: 88917-02-6 Catalog No: AG004962 MDL No:
Product Description
Catalog Number:
AG004962
Chemical Name:
3,3,4,5-TETRACHLORO-3H-1,2-DITHIOLE
CAS Number:
88917-02-6
Molecular Formula:
C3Cl4S2
Molecular Weight:
241.9741
IUPAC Name:
3,3,4,5-tetrachlorodithiole
InChI:
InChI=1S/C3Cl4S2/c4-1-2(5)8-9-3(1,6)7
InChI Key:
YXMZIQBPZNCGMY-UHFFFAOYSA-N
SMILES:
ClC1=C(Cl)C(SS1)(Cl)Cl
NSC Number:
135975
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.817g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.953g/mol
Monoisotopic Mass:
239.82g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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