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999-87-1 | Phosphonodithioic acid, methyl-, O-(1-methylethyl) ester
CAS No: 999-87-1 Catalog No: AG003VKS MDL No:
Product Description
Catalog Number:
AG003VKS
Chemical Name:
Phosphonodithioic acid, methyl-, O-(1-methylethyl) ester
CAS Number:
999-87-1
Molecular Formula:
C4H10OPS2-
Molecular Weight:
169.2254
IUPAC Name:
methyl-propan-2-yloxy-sulfanylidene-sulfido-λ5-phosphane
InChI:
InChI=1S/C4H11OPS2/c1-4(2)5-6(3,7)8/h4H,1-3H3,(H,7,8)/p-1
InChI Key:
QJDMPTNWUTZBMV-UHFFFAOYSA-M
SMILES:
CC(OP(=S)(C)[S-])C
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.991g/mol
Formal Charge:
-1
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.217g/mol
Monoisotopic Mass:
168.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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