dimethylazanium;N,N-dimethylcarbamodithioate

C5H14N2S2 — CID 11728

IUPACdimethylazanium;N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)[S-].C[NH2+]C
InChIInChI=1S/C3H7NS2.C2H7N/c1-4(2)3(5)6;1-3-2/h1-2H3,(H,5,6);3H,1-2H3
InChIKeyUVOFGKIRTCCNKG-UHFFFAOYSA-N
MW166.31 g/mol
LogP-0.81
Rot. Bonds

About dimethylazanium;N,N-dimethylcarbamodithioate

dimethylazanium;N,N-dimethylcarbamodithioate (PubChem CID 11728) has the molecular formula C5H14N2S2 and a molecular weight of 166.31 g/mol. Its IUPAC name is dimethylazanium;N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Namedimethylazanium;N,N-dimethylcarbamodithioate
PubChem CID11728
Molecular FormulaC5H14N2S2
Molecular Weight166.31 g/mol
Exact Mass166.06
IUPAC Namedimethylazanium;N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)[S-].C[NH2+]C
InChIInChI=1S/C3H7NS2.C2H7N/c1-4(2)3(5)6;1-3-2/h1-2H3,(H,5,6);3H,1-2H3
InChIKeyUVOFGKIRTCCNKG-UHFFFAOYSA-N
XLogP-0.81
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

Dimethylamine dimethyldithiocarbamate
CID 221511
Metam-ammonium
CID 3036568
N(1),N(4)-Dimethyl-1,4-tetrasulfanedicarbothioamide
CID 3003740
Dimethylthiuram disulfide
CID 3034132
methyl ammonium N-methyldithiocarbamate
CID 73555619
N,N,N'-Trimethylthioperoxydicarbonic diamide ((Me2N)C(S)S2C(S)(NHMe)
CID 53933015
N(1),N(3)-Dimethyl-1,3-trisulfanedicarbothioamide
CID 3003739
N-methylcarbamodithioate;trimethylazanium
CID 90073919
methylcarbamothioyl N,N-dimethylcarbamodithioate
CID 102055904
ZINC methylaminomethanethione
CID 145829715
Dimethylcarbamodithioic acid;methylcarbamodithioic acid
CID 157251964
CID 158647227
CID 158647227

Frequently Asked Questions

What is the IUPAC name of dimethylazanium;N,N-dimethylcarbamodithioate?
The IUPAC name of dimethylazanium;N,N-dimethylcarbamodithioate (CID 11728) is dimethylazanium;N,N-dimethylcarbamodithioate.
What is the SMILES notation for dimethylazanium;N,N-dimethylcarbamodithioate?
The canonical SMILES for dimethylazanium;N,N-dimethylcarbamodithioate is CN(C)C(=S)[S-].C[NH2+]C.
What is the InChIKey of dimethylazanium;N,N-dimethylcarbamodithioate?
The InChIKey is UVOFGKIRTCCNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS2.C2H7N/c1-4(2)3(5)6;1-3-2/h1-2H3,(H,5,6);3H,1-2H3.
What are the key properties of dimethylazanium;N,N-dimethylcarbamodithioate?
dimethylazanium;N,N-dimethylcarbamodithioate has a molecular weight of 166.31 g/mol, XLogP of -0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanium;N,N-dimethylcarbamodithioate is sourced from PubChem (CID 11728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).