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141931-25-1 | Phosphonodithioic acid, [(phenylmethyl)sulfonyl]-, S,S-bis(phenylmethyl) ester (9CI)
CAS No: 141931-25-1 Catalog No: AG001HF6 MDL No:
Product Description
Catalog Number:
AG001HF6
Chemical Name:
Phosphonodithioic acid, [(phenylmethyl)sulfonyl]-, S,S-bis(phenylmethyl) ester (9CI)
CAS Number:
141931-25-1
Molecular Formula:
C21H21O3PS3
Molecular Weight:
448.5584
IUPAC Name:
[benzylsulfanyl(benzylsulfonyl)phosphoryl]sulfanylmethylbenzene
InChI:
InChI=1S/C21H21O3PS3/c22-25(26-16-19-10-4-1-5-11-19,27-17-20-12-6-2-7-13-20)28(23,24)18-21-14-8-3-9-15-21/h1-15H,16-18H2
InChI Key:
UUHYBKIOGLDONV-UHFFFAOYSA-N
SMILES:
O=S(=O)(P(=O)(SCc1ccccc1)SCc1ccccc1)Cc1ccccc1
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.039g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
448.55g/mol
Monoisotopic Mass:
448.039g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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