ethyl N'-propan-2-ylcarbamimidothioate;hydroiodide

C6H15IN2S — CID 131085329

IUPACethyl N'-propan-2-ylcarbamimidothioate;hydroiodide
SMILESCCS/C(N)=N\C(C)C.I
InChIInChI=1S/C6H14N2S.HI/c1-4-9-6(7)8-5(2)3;/h5H,4H2,1-3H3,(H2,7,8);1H
InChIKeyMFADPOIEGGPDSE-UHFFFAOYSA-N
MW274.17 g/mol
LogP2.08
Rot. Bonds2

About ethyl N'-propan-2-ylcarbamimidothioate;hydroiodide

ethyl N'-propan-2-ylcarbamimidothioate;hydroiodide (PubChem CID 131085329) has the molecular formula C6H15IN2S and a molecular weight of 274.17 g/mol. Its IUPAC name is ethyl N'-propan-2-ylcarbamimidothioate;hydroiodide.

Molecular Properties

Compound Nameethyl N'-propan-2-ylcarbamimidothioate;hydroiodide
PubChem CID131085329
Molecular FormulaC6H15IN2S
Molecular Weight274.17 g/mol
Exact Mass274.00
IUPAC Nameethyl N'-propan-2-ylcarbamimidothioate;hydroiodide
SMILESCCS/C(N)=N\C(C)C.I
InChIInChI=1S/C6H14N2S.HI/c1-4-9-6(7)8-5(2)3;/h5H,4H2,1-3H3,(H2,7,8);1H
InChIKeyMFADPOIEGGPDSE-UHFFFAOYSA-N
XLogP2.08
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N'-propan-2-ylcarbamimidothioate;hydroiodide?
The IUPAC name of ethyl N'-propan-2-ylcarbamimidothioate;hydroiodide (CID 131085329) is ethyl N'-propan-2-ylcarbamimidothioate;hydroiodide.
What is the SMILES notation for ethyl N'-propan-2-ylcarbamimidothioate;hydroiodide?
The canonical SMILES for ethyl N'-propan-2-ylcarbamimidothioate;hydroiodide is CCS/C(N)=N\C(C)C.I.
What is the InChIKey of ethyl N'-propan-2-ylcarbamimidothioate;hydroiodide?
The InChIKey is MFADPOIEGGPDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S.HI/c1-4-9-6(7)8-5(2)3;/h5H,4H2,1-3H3,(H2,7,8);1H.
What are the key properties of ethyl N'-propan-2-ylcarbamimidothioate;hydroiodide?
ethyl N'-propan-2-ylcarbamimidothioate;hydroiodide has a molecular weight of 274.17 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N'-propan-2-ylcarbamimidothioate;hydroiodide is sourced from PubChem (CID 131085329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).