methyl N-ethylcarbamodithioate

C4H9NS2 — CID 3034999

IUPACmethyl N-ethylcarbamodithioate
SMILESCCNC(=S)SC
InChIInChI=1S/C4H9NS2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)
InChIKeyPGUWOWZKJZKUGN-UHFFFAOYSA-N
MW135.26 g/mol
LogP1.24
Rot. Bonds1

About methyl N-ethylcarbamodithioate

methyl N-ethylcarbamodithioate (PubChem CID 3034999) has the molecular formula C4H9NS2 and a molecular weight of 135.26 g/mol. Its IUPAC name is methyl N-ethylcarbamodithioate.

Molecular Properties

Compound Namemethyl N-ethylcarbamodithioate
PubChem CID3034999
Molecular FormulaC4H9NS2
Molecular Weight135.26 g/mol
Exact Mass135.02
IUPAC Namemethyl N-ethylcarbamodithioate
SMILESCCNC(=S)SC
InChIInChI=1S/C4H9NS2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)
InChIKeyPGUWOWZKJZKUGN-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 methyl N-ethylcarbamodithioate?
The IUPAC name of methyl N-ethylcarbamodithioate (CID 3034999) is methyl N-ethylcarbamodithioate.
What is the SMILES notation for methyl N-ethylcarbamodithioate?
The canonical SMILES for methyl N-ethylcarbamodithioate is CCNC(=S)SC.
What is the InChIKey of methyl N-ethylcarbamodithioate?
The InChIKey is PGUWOWZKJZKUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6).
What are the key properties of methyl N-ethylcarbamodithioate?
methyl N-ethylcarbamodithioate 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 methyl N-ethylcarbamodithioate is sourced from PubChem (CID 3034999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).