N-methylcarbamodithioate;trimethylazanium

C5H14N2S2 — CID 90073919

IUPACN-methylcarbamodithioate;trimethylazanium
SMILESCNC(=S)[S-].C[NH+](C)C
InChIInChI=1S/C3H9N.C2H5NS2/c1-4(2)3;1-3-2(4)5/h1-3H3;1H3,(H2,3,4,5)
InChIKeyCULCAOUZPPNSRA-UHFFFAOYSA-N
MW166.31 g/mol
LogP-1.20
Rot. Bonds

About N-methylcarbamodithioate;trimethylazanium

N-methylcarbamodithioate;trimethylazanium (PubChem CID 90073919) has the molecular formula C5H14N2S2 and a molecular weight of 166.31 g/mol. Its IUPAC name is N-methylcarbamodithioate;trimethylazanium.

Molecular Properties

Compound NameN-methylcarbamodithioate;trimethylazanium
PubChem CID90073919
Molecular FormulaC5H14N2S2
Molecular Weight166.31 g/mol
Exact Mass166.06
IUPAC NameN-methylcarbamodithioate;trimethylazanium
SMILESCNC(=S)[S-].C[NH+](C)C
InChIInChI=1S/C3H9N.C2H5NS2/c1-4(2)3;1-3-2(4)5/h1-3H3;1H3,(H2,3,4,5)
InChIKeyCULCAOUZPPNSRA-UHFFFAOYSA-N
XLogP-1.20
TPSA16.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
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

dimethylazanium;N,N-dimethylcarbamodithioate
CID 11728
Dimethylamine dimethyldithiocarbamate
CID 221511
Bis(methyldithiocarbamato-S,S')zinc
CID 3034305
Metam-ammonium
CID 3036568
1,1-Dimethyl-3-(methylcarbamothioyl)thiourea
CID 3004022
N(1),N(4)-Dimethyl-1,4-tetrasulfanedicarbothioamide
CID 3003740
Methylamine methyldithiocarbamate
CID 3037097
Dimethylthiuram disulfide
CID 3034132
Methyldithiocarbamate ZINC(II)
CID 13488601
methyl ammonium N-methyldithiocarbamate
CID 73555619
1,1,5,5-Tetramethyldithiobiuret
CID 3037142
Dimethylaminomethylcarbamodithioic acid
CID 3705844

Frequently Asked Questions

What is the IUPAC name of N-methylcarbamodithioate;trimethylazanium?
The IUPAC name of N-methylcarbamodithioate;trimethylazanium (CID 90073919) is N-methylcarbamodithioate;trimethylazanium.
What is the SMILES notation for N-methylcarbamodithioate;trimethylazanium?
The canonical SMILES for N-methylcarbamodithioate;trimethylazanium is CNC(=S)[S-].C[NH+](C)C.
What is the InChIKey of N-methylcarbamodithioate;trimethylazanium?
The InChIKey is CULCAOUZPPNSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C2H5NS2/c1-4(2)3;1-3-2(4)5/h1-3H3;1H3,(H2,3,4,5).
What are the key properties of N-methylcarbamodithioate;trimethylazanium?
N-methylcarbamodithioate;trimethylazanium has a molecular weight of 166.31 g/mol, XLogP of -1.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcarbamodithioate;trimethylazanium is sourced from PubChem (CID 90073919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).