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18005-42-0 | Phosphonothioic acid, P-methyl-, O-butyl ester
CAS No: 18005-42-0 Catalog No: AG0021O4 MDL No:
Product Description
Catalog Number:
AG0021O4
Chemical Name:
Phosphonothioic acid, P-methyl-, O-butyl ester
CAS Number:
18005-42-0
Molecular Formula:
C5H12O2PS-
Molecular Weight:
167.1863
IUPAC Name:
butoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C5H13O2PS/c1-3-4-5-7-8(2,6)9/h3-5H2,1-2H3,(H,6,9)
InChI Key:
XVXIYRNLQGEXIZ-UHFFFAOYSA-N
SMILES:
CCCCOP(=S)(C)[O-]
NSC Number:
202865
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.037g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.191g/mol
Monoisotopic Mass:
168.037g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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