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122301-25-1 | Phosphonic acid, P-1,3-dithiol-2-yl-, diethyl ester
CAS No: 122301-25-1 Catalog No: AG00172F MDL No:
Product Description
Catalog Number:
AG00172F
Chemical Name:
Phosphonic acid, P-1,3-dithiol-2-yl-, diethyl ester
CAS Number:
122301-25-1
Molecular Formula:
C7H13O3PS2
Molecular Weight:
240.2801
IUPAC Name:
2-diethoxyphosphoryl-1,3-dithiole
InChI:
InChI=1S/C7H13O3PS2/c1-3-9-11(8,10-4-2)7-12-5-6-13-7/h5-7H,3-4H2,1-2H3
InChI Key:
PJUDYYPATRKRHD-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C1SC=CS1)OCC
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.004g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.272g/mol
Monoisotopic Mass:
240.004g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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