ethyl N-methylcarbamodithioate

C4H9NS2 — CID 5463668

IUPACethyl N-methylcarbamodithioate
SMILESCCSC(=S)NC
InChIInChI=1S/C4H9NS2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6)
InChIKeyMNKSXVVWOZQGLR-UHFFFAOYSA-N
MW135.26 g/mol
LogP1.24
Rot. Bonds1

About ethyl N-methylcarbamodithioate

ethyl N-methylcarbamodithioate (PubChem CID 5463668) has the molecular formula C4H9NS2 and a molecular weight of 135.26 g/mol. Its IUPAC name is ethyl N-methylcarbamodithioate.

Molecular Properties

Compound Nameethyl N-methylcarbamodithioate
PubChem CID5463668
Molecular FormulaC4H9NS2
Molecular Weight135.26 g/mol
Exact Mass135.02
IUPAC Nameethyl N-methylcarbamodithioate
SMILESCCSC(=S)NC
InChIInChI=1S/C4H9NS2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6)
InChIKeyMNKSXVVWOZQGLR-UHFFFAOYSA-N
XLogP1.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 ethyl N-methylcarbamodithioate?
The IUPAC name of ethyl N-methylcarbamodithioate (CID 5463668) is ethyl N-methylcarbamodithioate.
What is the SMILES notation for ethyl N-methylcarbamodithioate?
The canonical SMILES for ethyl N-methylcarbamodithioate is CCSC(=S)NC.
What is the InChIKey of ethyl N-methylcarbamodithioate?
The InChIKey is MNKSXVVWOZQGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6).
What are the key properties of ethyl N-methylcarbamodithioate?
ethyl N-methylcarbamodithioate has a molecular weight of 135.26 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methylcarbamodithioate is sourced from PubChem (CID 5463668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).