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88520-12-1 | Phosphonotrithioic acid, phenyl-, bis(1-methylethyl) ester
CAS No: 88520-12-1 Catalog No: AG0048JA MDL No:
Product Description
Catalog Number:
AG0048JA
Chemical Name:
Phosphonotrithioic acid, phenyl-, bis(1-methylethyl) ester
CAS Number:
88520-12-1
Molecular Formula:
C12H19PS3
Molecular Weight:
290.4480
IUPAC Name:
phenyl-bis(propan-2-ylsulfanyl)-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C12H19PS3/c1-10(2)15-13(14,16-11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3
InChI Key:
GTWRIKGYISYPGM-UHFFFAOYSA-N
SMILES:
CC(SP(=S)(c1ccccc1)SC(C)C)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.039g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.438g/mol
Monoisotopic Mass:
290.039g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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