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133113-76-5 | Phosphonic acid, 1,3-dithiol-2-yl-, dimethyl ester
CAS No: 133113-76-5 Catalog No: AG00149O MDL No:
Product Description
Catalog Number:
AG00149O
Chemical Name:
Phosphonic acid, 1,3-dithiol-2-yl-, dimethyl ester
CAS Number:
133113-76-5
Molecular Formula:
C5H9O3PS2
Molecular Weight:
212.2269
IUPAC Name:
2-dimethoxyphosphoryl-1,3-dithiole
InChI:
InChI=1S/C5H9O3PS2/c1-7-9(6,8-2)5-10-3-4-11-5/h3-5H,1-2H3
InChI Key:
ZQRMTDYBPMYORJ-UHFFFAOYSA-N
SMILES:
COP(=O)(C1SC=CS1)OC
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.973g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.218g/mol
Monoisotopic Mass:
211.973g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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