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850251-99-9 | Propanoic acid, 2,2'-[carbonothioylbis(thio)]bis-, dimethyl ester
CAS No: 850251-99-9 Catalog No: AG0050ON MDL No:
Product Description
Catalog Number:
AG0050ON
Chemical Name:
Propanoic acid, 2,2'-[carbonothioylbis(thio)]bis-, dimethyl ester
CAS Number:
850251-99-9
Molecular Formula:
C9H14O4S3
Molecular Weight:
282.4001
IUPAC Name:
methyl 2-(1-methoxy-1-oxopropan-2-yl)sulfanylcarbothioylsulfanylpropanoate
InChI:
InChI=1S/C9H14O4S3/c1-5(7(10)12-3)15-9(14)16-6(2)8(11)13-4/h5-6H,1-4H3
InChI Key:
SCRZEQMWEUJZKB-UHFFFAOYSA-N
SMILES:
COC(=O)C(SC(=S)SC(C(=O)OC)C)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.387g/mol
Monoisotopic Mass:
282.005g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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