BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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tetramethylthiuram disulfide

Graphical representations:

tetramethylthiuram disulfide image

Molecular Formula: C6 H12 N2 S4

Natural Isotopic Abundance Mass: 240.43288

Mono-Isotopic Molecular Masses:

  • C12N14: 239.9883311556
  • C13N14: 246.0084601824
  • C12N15: 241.982400942
  • C13N15: 248.0025299688

InCHi String: InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3

canonical and isomeric SMILES: CN(C)C(=S)SSC(=S)N(C)C

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate

PUBCHEM iupac TRADITIONAL NAME
N,N-dimethylcarbamodithioic acid (dimethylthiocarbamoylthio) ester

PUBCHEM iupac CAS NAME
N,N-dimethylcarbamodithioic acid [[dimethylamino(sulfanylidene)methyl]thio] ester

PubChem Substance (SID):   144080929   24900038   24900038
PubChem Compound (CID):   5455
KEGG: Compound ID   C11160
CAS Registry IDs:   93196-73-7   12680-62-5   66173-72-6   12680-07-8   137-26-8   56645-31-9   39456-80-9
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 137-26-8   MMCD cq_07818   Beilstein Registry Number 1725821   MDL number MFCD00008325   Sigma-Aldrich T24201_ALDRICH   EPA Pesticide Chemical Code 079801   ChEBI CHEBI:9495   HSDB 863   ChemIDplus 000137268   Caswell No. 856   Center for Chemical Genomics, University of Michigan CCG-35460   EINECS 205-286-2   CCRIS 1282   Beilstein Handbook Reference 4-04-00-00242

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.