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23208-14-2 | 1,3,2-Benzodioxaphosphole, 2-(methylthio)-, 2-sulfide
CAS No: 23208-14-2 Catalog No: AG002MIF MDL No:
Product Description
Catalog Number:
AG002MIF
Chemical Name:
1,3,2-Benzodioxaphosphole, 2-(methylthio)-, 2-sulfide
CAS Number:
23208-14-2
Molecular Formula:
C7H7O2PS2
Molecular Weight:
218.2330
IUPAC Name:
2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-benzodioxaphosphole
InChI:
InChI=1S/C7H7O2PS2/c1-12-10(11)8-6-4-2-3-5-7(6)9-10/h2-5H,1H3
InChI Key:
VSAHCKDTXMBNCK-UHFFFAOYSA-N
SMILES:
CSP1(=S)Oc2c(O1)cccc2
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.963g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.225g/mol
Monoisotopic Mass:
217.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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