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1005-98-7 | 1,3,2-Dioxaphosphorinane, 5,5-dimethyl-2-(methylthio)-, 2-oxide
CAS No: 1005-98-7 Catalog No: AG00026I MDL No:
Product Description
Catalog Number:
AG00026I
Chemical Name:
1,3,2-Dioxaphosphorinane, 5,5-dimethyl-2-(methylthio)-, 2-oxide
CAS Number:
1005-98-7
Molecular Formula:
C6H13O3PS
Molecular Weight:
196.2044
IUPAC Name:
5,5-dimethyl-2-methylsulfanyl-1,3,2λ5-dioxaphosphinane 2-oxide
InChI:
InChI=1S/C6H13O3PS/c1-6(2)4-8-10(7,11-3)9-5-6/h4-5H2,1-3H3
InChI Key:
ROMHQCFXQKWRKE-UHFFFAOYSA-N
SMILES:
CSP1(=O)OCC(CO1)(C)C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.201g/mol
Monoisotopic Mass:
196.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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