(methylcarbamothioyldisulfanyl) N-methylcarbamodithioate

C4H8N2S5 — CID 3003739

IUPAC(methylcarbamothioyldisulfanyl) N-methylcarbamodithioate
SMILESCNC(=S)SSSC(=S)NC
InChIInChI=1S/C4H8N2S5/c1-5-3(7)9-11-10-4(8)6-2/h1-2H3,(H,5,7)(H,6,8)
InChIKeyKUFLYCHNBFSPKZ-UHFFFAOYSA-N
MW244.46 g/mol
LogP2.02
Rot. Bonds2

About (methylcarbamothioyldisulfanyl) N-methylcarbamodithioate

(methylcarbamothioyldisulfanyl) N-methylcarbamodithioate (PubChem CID 3003739) has the molecular formula C4H8N2S5 and a molecular weight of 244.46 g/mol. Its IUPAC name is (methylcarbamothioyldisulfanyl) N-methylcarbamodithioate.

Molecular Properties

Compound Name(methylcarbamothioyldisulfanyl) N-methylcarbamodithioate
PubChem CID3003739
Molecular FormulaC4H8N2S5
Molecular Weight244.46 g/mol
Exact Mass243.93
IUPAC Name(methylcarbamothioyldisulfanyl) N-methylcarbamodithioate
SMILESCNC(=S)SSSC(=S)NC
InChIInChI=1S/C4H8N2S5/c1-5-3(7)9-11-10-4(8)6-2/h1-2H3,(H,5,7)(H,6,8)
InChIKeyKUFLYCHNBFSPKZ-UHFFFAOYSA-N
XLogP2.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.46
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (methylcarbamothioyldisulfanyl) N-methylcarbamodithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimethyldithiocarbamic acid, dimethylamine
CID 11728
Bis(methyldithiocarbamato-S,S')zinc
CID 3034305
Metam-ammonium
CID 3036568
Methylamine methyldithiocarbamate
CID 3037097
Dimethylthiuram disulfide
CID 3034132
Methyldithiocarbamate ZINC(II)
CID 13488601
methyl ammonium N-methyldithiocarbamate
CID 73555619
N(1),N(4)-Dimethyl-1,4-tetrasulfanedicarbothioamide
CID 3003740
Methyl thiuram disulfide
CID 18327140
n,n-Dimethylthiuram disulfide
CID 19390433
N,N,N'-Trimethylthioperoxydicarbonic diamide ((Me2N)C(S)S2C(S)(NHMe)
CID 53933015
Azane;methylcarbamodithioic acid
CID 14221609

Frequently Asked Questions

What is the IUPAC name of (methylcarbamothioyldisulfanyl) N-methylcarbamodithioate?
The IUPAC name of (methylcarbamothioyldisulfanyl) N-methylcarbamodithioate (CID 3003739) is (methylcarbamothioyldisulfanyl) N-methylcarbamodithioate.
What is the SMILES notation for (methylcarbamothioyldisulfanyl) N-methylcarbamodithioate?
The canonical SMILES for (methylcarbamothioyldisulfanyl) N-methylcarbamodithioate is CNC(=S)SSSC(=S)NC.
What is the InChIKey of (methylcarbamothioyldisulfanyl) N-methylcarbamodithioate?
The InChIKey is KUFLYCHNBFSPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S5/c1-5-3(7)9-11-10-4(8)6-2/h1-2H3,(H,5,7)(H,6,8).
What are the key properties of (methylcarbamothioyldisulfanyl) N-methylcarbamodithioate?
(methylcarbamothioyldisulfanyl) N-methylcarbamodithioate has a molecular weight of 244.46 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (methylcarbamothioyldisulfanyl) N-methylcarbamodithioate is sourced from PubChem (CID 3003739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).