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100860-55-7 | Phosphonothioic acid, methyl-, O,S-bis(2-methylpropyl) ester (9CI)
CAS No: 100860-55-7 Catalog No: AG000328 MDL No:
Product Description
Catalog Number:
AG000328
Chemical Name:
Phosphonothioic acid, methyl-, O,S-bis(2-methylpropyl) ester (9CI)
CAS Number:
100860-55-7
Molecular Formula:
C9H21O2PS
Molecular Weight:
224.3006
IUPAC Name:
2-methyl-1-[methyl(2-methylpropylsulfanyl)phosphoryl]oxypropane
InChI:
InChI=1S/C9H21O2PS/c1-8(2)6-11-12(5,10)13-7-9(3)4/h8-9H,6-7H2,1-5H3
InChI Key:
LYABNFHRGJXPHQ-UHFFFAOYSA-N
SMILES:
CC(COP(=O)(SCC(C)C)C)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.299g/mol
Monoisotopic Mass:
224.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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