methyl N-propylcarbamodithioate

C5H11NS2 — CID 55288017

IUPACmethyl N-propylcarbamodithioate
SMILESCCCNC(=S)SC
InChIInChI=1S/C5H11NS2/c1-3-4-6-5(7)8-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyZLTVQCSUKXAWII-UHFFFAOYSA-N
MW149.28 g/mol
LogP1.63
Rot. Bonds2

About methyl N-propylcarbamodithioate

methyl N-propylcarbamodithioate (PubChem CID 55288017) has the molecular formula C5H11NS2 and a molecular weight of 149.28 g/mol. Its IUPAC name is methyl N-propylcarbamodithioate.

Molecular Properties

Compound Namemethyl N-propylcarbamodithioate
PubChem CID55288017
Molecular FormulaC5H11NS2
Molecular Weight149.28 g/mol
Exact Mass149.03
IUPAC Namemethyl N-propylcarbamodithioate
SMILESCCCNC(=S)SC
InChIInChI=1S/C5H11NS2/c1-3-4-6-5(7)8-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyZLTVQCSUKXAWII-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 methyl N-propylcarbamodithioate?
The IUPAC name of methyl N-propylcarbamodithioate (CID 55288017) is methyl N-propylcarbamodithioate.
What is the SMILES notation for methyl N-propylcarbamodithioate?
The canonical SMILES for methyl N-propylcarbamodithioate is CCCNC(=S)SC.
What is the InChIKey of methyl N-propylcarbamodithioate?
The InChIKey is ZLTVQCSUKXAWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS2/c1-3-4-6-5(7)8-2/h3-4H2,1-2H3,(H,6,7).
What are the key properties of methyl N-propylcarbamodithioate?
methyl N-propylcarbamodithioate 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 methyl N-propylcarbamodithioate is sourced from PubChem (CID 55288017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).