Chemical Components in the PDB

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KCS : Summary

Code

KCS

One-letter code

X

Molecule name

carbonotrithioic acid

Synonyms

Trithiocarbonic acid

Systematic names

ProgramVersionName
ACDLabs 11.02 carbonotrithioic acid
OpenEye OEToolkits 1.6.1 carbonotrithioic acid

Formula

C H2 S3

Formal charge

0

Molecular weight

110.222 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 S=C(S)S
SMILES CACTVS 3.352 SC(S)=S
SMILES OpenEye OEToolkits 1.7.0 C(=S)(S)S
Canonical SMILES CACTVS 3.352 SC(S)=S
Canonical SMILES OpenEye OEToolkits 1.7.0 C(=S)(S)S

IUPAC InChI

InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)

IUPAC InChI key

HIZCIEIDIFGZSS-UHFFFAOYSA-N
KCS

wwPDB Information

Atom count

6 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-10-19

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned