propyl N-methylcarbamodithioate

C5H11NS2 — CID 5463669

IUPACpropyl N-methylcarbamodithioate
SMILESCCCSC(=S)NC
InChIInChI=1S/C5H11NS2/c1-3-4-8-5(7)6-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyKUDJTSQPXXVPAQ-UHFFFAOYSA-N
MW149.28 g/mol
LogP1.63
Rot. Bonds2

About propyl N-methylcarbamodithioate

propyl N-methylcarbamodithioate (PubChem CID 5463669) has the molecular formula C5H11NS2 and a molecular weight of 149.28 g/mol. Its IUPAC name is propyl N-methylcarbamodithioate.

Molecular Properties

Compound Namepropyl N-methylcarbamodithioate
PubChem CID5463669
Molecular FormulaC5H11NS2
Molecular Weight149.28 g/mol
Exact Mass149.03
IUPAC Namepropyl N-methylcarbamodithioate
SMILESCCCSC(=S)NC
InChIInChI=1S/C5H11NS2/c1-3-4-8-5(7)6-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyKUDJTSQPXXVPAQ-UHFFFAOYSA-N
XLogP1.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.28
LogP ≤ 51.63
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 propyl N-methylcarbamodithioate?
The IUPAC name of propyl N-methylcarbamodithioate (CID 5463669) is propyl N-methylcarbamodithioate.
What is the SMILES notation for propyl N-methylcarbamodithioate?
The canonical SMILES for propyl N-methylcarbamodithioate is CCCSC(=S)NC.
What is the InChIKey of propyl N-methylcarbamodithioate?
The InChIKey is KUDJTSQPXXVPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS2/c1-3-4-8-5(7)6-2/h3-4H2,1-2H3,(H,6,7).
What are the key properties of propyl N-methylcarbamodithioate?
propyl N-methylcarbamodithioate has a molecular weight of 149.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-methylcarbamodithioate is sourced from PubChem (CID 5463669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).