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129056-00-4 | Carbonodithioic acid, S-(cyclopentylmethyl) O-methyl ester
CAS No: 129056-00-4 Catalog No: AG000YTM MDL No:
Product Description
Catalog Number:
AG000YTM
Chemical Name:
Carbonodithioic acid, S-(cyclopentylmethyl) O-methyl ester
CAS Number:
129056-00-4
Molecular Formula:
C8H14OS2
Molecular Weight:
190.3262
IUPAC Name:
O-methyl cyclopentylmethylsulfanylmethanethioate
InChI:
InChI=1S/C8H14OS2/c1-9-8(10)11-6-7-4-2-3-5-7/h7H,2-6H2,1H3
InChI Key:
VDXHNGNDQUFBNT-UHFFFAOYSA-N
SMILES:
COC(=S)SCC1CCCC1
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.049g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.319g/mol
Monoisotopic Mass:
190.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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