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88691-26-3 | Phosphonothioic dichloride, [1-(phenylthio)ethenyl]-
CAS No: 88691-26-3 Catalog No: AG0046N1 MDL No:
Product Description
Catalog Number:
AG0046N1
Chemical Name:
Phosphonothioic dichloride, [1-(phenylthio)ethenyl]-
CAS Number:
88691-26-3
Molecular Formula:
C8H7Cl2PS2
Molecular Weight:
269.1509
IUPAC Name:
dichloro-(1-phenylsulfanylethenyl)-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C8H7Cl2PS2/c1-7(11(9,10)12)13-8-5-3-2-4-6-8/h2-6H,1H2
InChI Key:
NWCYNCCYAZSYRV-UHFFFAOYSA-N
SMILES:
C=C(P(=S)(Cl)Cl)Sc1ccccc1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.91g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.138g/mol
Monoisotopic Mass:
267.91g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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