Chemical Components in the PDB

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FST : Summary

Code

FST

One-letter code

X

Molecule name

O,O-diethyl O-{4-[(R)-methylsulfinyl]phenyl} phosphorothioate

Synonyms

Fensulfothion

Systematic names

ProgramVersionName
ACDLabs 12.01 O,O-diethyl O-{4-[(R)-methylsulfinyl]phenyl} phosphorothioate
OpenEye OEToolkits 1.7.6 diethoxy-[4-[(R)-methylsulfinyl]phenoxy]-sulfanylidene-$l^{5}-phosphane

Formula

C11 H17 O4 P S2

Formal charge

0

Molecular weight

308.354 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(c1ccc(OP(=S)(OCC)OCC)cc1)C
SMILES CACTVS 3.370 CCO[P](=S)(OCC)Oc1ccc(cc1)[S](C)=O
SMILES OpenEye OEToolkits 1.7.6 CCOP(=S)(OCC)Oc1ccc(cc1)S(=O)C
Canonical SMILES CACTVS 3.370 CCO[P](=S)(OCC)Oc1ccc(cc1)[S@@](C)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CCOP(=S)(OCC)Oc1ccc(cc1)[S@](=O)C

IUPAC InChI

InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3/t18-/m1/s1

IUPAC InChI key

XDNBJTQLKCIJBV-GOSISDBHSA-N
FST

wwPDB Information

Atom count

35 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-11-15

Last modified at

2012-09-28

Status

Released

Obsoleted

Not Assigned