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14479-09-5 | Phosphonodithioic acid, phenyl- (7CI,8CI,9CI)
CAS No: 14479-09-5 Catalog No: AG001K62 MDL No:
Product Description
Catalog Number:
AG001K62
Chemical Name:
Phosphonodithioic acid, phenyl- (7CI,8CI,9CI)
CAS Number:
14479-09-5
Molecular Formula:
C6H7OPS2
Molecular Weight:
190.2229
IUPAC Name:
hydroxy-phenyl-sulfanyl-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C6H7OPS2/c7-8(9,10)6-4-2-1-3-5-6/h1-5H,(H2,7,9,10)
InChI Key:
ITIDSNKGTOBPBD-UHFFFAOYSA-N
SMILES:
OP(=S)(c1ccccc1)S
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.968g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.215g/mol
Monoisotopic Mass:
189.968g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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