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101185-20-0 | Lithium, [1,3-bis(phenylthio)-2-cyclohexen-1-yl]-
CAS No: 101185-20-0 Catalog No: AG0003X9 MDL No:
Product Description
Catalog Number:
AG0003X9
Chemical Name:
Lithium, [1,3-bis(phenylthio)-2-cyclohexen-1-yl]-
CAS Number:
101185-20-0
Molecular Formula:
C18H17LiS2
Molecular Weight:
304.3986
IUPAC Name:
lithium;(3-phenylsulfanylcyclohexen-1-yl)sulfanylbenzene
InChI:
InChI=1S/C18H17S2.Li/c1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16;/h1-6,8-11,14H,7,12-13H2;/q-1;+1
InChI Key:
UJDCVEPNWYQZEA-UHFFFAOYSA-N
SMILES:
[Li]C1(CCCC(=C1)Sc1ccccc1)Sc1ccccc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.093g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.394g/mol
Monoisotopic Mass:
304.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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