methylcarbamothioyl N,N-dimethylcarbamodithioate

C5H10N2S3 — CID 102055904

IUPACmethylcarbamothioyl N,N-dimethylcarbamodithioate
SMILESCNC(=S)SC(=S)N(C)C
InChIInChI=1S/C5H10N2S3/c1-6-4(8)10-5(9)7(2)3/h1-3H3,(H,6,8)
InChIKeyJXHQDLLLCMDKIK-UHFFFAOYSA-N
MW194.35 g/mol
LogP1.07
Rot. Bonds

About methylcarbamothioyl N,N-dimethylcarbamodithioate

methylcarbamothioyl N,N-dimethylcarbamodithioate (PubChem CID 102055904) has the molecular formula C5H10N2S3 and a molecular weight of 194.35 g/mol. Its IUPAC name is methylcarbamothioyl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Namemethylcarbamothioyl N,N-dimethylcarbamodithioate
PubChem CID102055904
Molecular FormulaC5H10N2S3
Molecular Weight194.35 g/mol
Exact Mass194.00
IUPAC Namemethylcarbamothioyl N,N-dimethylcarbamodithioate
SMILESCNC(=S)SC(=S)N(C)C
InChIInChI=1S/C5H10N2S3/c1-6-4(8)10-5(9)7(2)3/h1-3H3,(H,6,8)
InChIKeyJXHQDLLLCMDKIK-UHFFFAOYSA-N
XLogP1.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylcarbamothioyl N,N-dimethylcarbamodithioate?
The IUPAC name of methylcarbamothioyl N,N-dimethylcarbamodithioate (CID 102055904) is methylcarbamothioyl N,N-dimethylcarbamodithioate.
What is the SMILES notation for methylcarbamothioyl N,N-dimethylcarbamodithioate?
The canonical SMILES for methylcarbamothioyl N,N-dimethylcarbamodithioate is CNC(=S)SC(=S)N(C)C.
What is the InChIKey of methylcarbamothioyl N,N-dimethylcarbamodithioate?
The InChIKey is JXHQDLLLCMDKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S3/c1-6-4(8)10-5(9)7(2)3/h1-3H3,(H,6,8).
What are the key properties of methylcarbamothioyl N,N-dimethylcarbamodithioate?
methylcarbamothioyl N,N-dimethylcarbamodithioate has a molecular weight of 194.35 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylcarbamothioyl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 102055904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).