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15536-22-8 | Phosphonothioic acid, methyl-, S-butyl O-methyl ester (7CI,8CI,9CI)
CAS No: 15536-22-8 Catalog No: AG001NUM MDL No:
Product Description
Catalog Number:
AG001NUM
Chemical Name:
Phosphonothioic acid, methyl-, S-butyl O-methyl ester (7CI,8CI,9CI)
CAS Number:
15536-22-8
Molecular Formula:
C6H15O2PS
Molecular Weight:
182.2209
IUPAC Name:
1-[methoxy(methyl)phosphoryl]sulfanylbutane
InChI:
InChI=1S/C6H15O2PS/c1-4-5-6-10-9(3,7)8-2/h4-6H2,1-3H3
InChI Key:
GFTKYURLVCGXCI-UHFFFAOYSA-N
SMILES:
CCCCSP(=O)(OC)C
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.218g/mol
Monoisotopic Mass:
182.053g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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