propyl N-carbamoylcarbamodithioate

C5H10N2OS2 — CID 174741188

IUPACpropyl N-carbamoylcarbamodithioate
SMILESCCCSC(=S)NC(N)=O
InChIInChI=1S/C5H10N2OS2/c1-2-3-10-5(9)7-4(6)8/h2-3H2,1H3,(H3,6,7,8,9)
InChIKeyACRSXSXHVMHLHZ-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.08
Rot. Bonds2

About propyl N-carbamoylcarbamodithioate

propyl N-carbamoylcarbamodithioate (PubChem CID 174741188) has the molecular formula C5H10N2OS2 and a molecular weight of 178.28 g/mol. Its IUPAC name is propyl N-carbamoylcarbamodithioate.

Molecular Properties

Compound Namepropyl N-carbamoylcarbamodithioate
PubChem CID174741188
Molecular FormulaC5H10N2OS2
Molecular Weight178.28 g/mol
Exact Mass178.02
IUPAC Namepropyl N-carbamoylcarbamodithioate
SMILESCCCSC(=S)NC(N)=O
InChIInChI=1S/C5H10N2OS2/c1-2-3-10-5(9)7-4(6)8/h2-3H2,1H3,(H3,6,7,8,9)
InChIKeyACRSXSXHVMHLHZ-UHFFFAOYSA-N
XLogP1.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
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 propyl N-carbamoylcarbamodithioate?
The IUPAC name of propyl N-carbamoylcarbamodithioate (CID 174741188) is propyl N-carbamoylcarbamodithioate.
What is the SMILES notation for propyl N-carbamoylcarbamodithioate?
The canonical SMILES for propyl N-carbamoylcarbamodithioate is CCCSC(=S)NC(N)=O.
What is the InChIKey of propyl N-carbamoylcarbamodithioate?
The InChIKey is ACRSXSXHVMHLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS2/c1-2-3-10-5(9)7-4(6)8/h2-3H2,1H3,(H3,6,7,8,9).
What are the key properties of propyl N-carbamoylcarbamodithioate?
propyl N-carbamoylcarbamodithioate has a molecular weight of 178.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-carbamoylcarbamodithioate is sourced from PubChem (CID 174741188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).