methyl N-tert-butylthiophene-2-carboximidothioate

C10H15NS2 — CID 177486015

IUPACmethyl N-tert-butylthiophene-2-carboximidothioate
SMILESCS/C(=N\C(C)(C)C)c1cccs1
InChIInChI=1S/C10H15NS2/c1-10(2,3)11-9(12-4)8-6-5-7-13-8/h5-7H,1-4H3/b11-9-
InChIKeyDMGIFYNRHFCPHE-LUAWRHEFSA-N
MW213.37 g/mol
LogP3.66
Rot. Bonds1

About methyl N-tert-butylthiophene-2-carboximidothioate

methyl N-tert-butylthiophene-2-carboximidothioate (PubChem CID 177486015) has the molecular formula C10H15NS2 and a molecular weight of 213.37 g/mol. Its IUPAC name is methyl N-tert-butylthiophene-2-carboximidothioate.

Molecular Properties

Compound Namemethyl N-tert-butylthiophene-2-carboximidothioate
PubChem CID177486015
Molecular FormulaC10H15NS2
Molecular Weight213.37 g/mol
Exact Mass213.06
IUPAC Namemethyl N-tert-butylthiophene-2-carboximidothioate
SMILESCS/C(=N\C(C)(C)C)c1cccs1
InChIInChI=1S/C10H15NS2/c1-10(2,3)11-9(12-4)8-6-5-7-13-8/h5-7H,1-4H3/b11-9-
InChIKeyDMGIFYNRHFCPHE-LUAWRHEFSA-N
XLogP3.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-tert-butylthiophene-2-carboximidothioate?
The IUPAC name of methyl N-tert-butylthiophene-2-carboximidothioate (CID 177486015) is methyl N-tert-butylthiophene-2-carboximidothioate.
What is the SMILES notation for methyl N-tert-butylthiophene-2-carboximidothioate?
The canonical SMILES for methyl N-tert-butylthiophene-2-carboximidothioate is CS/C(=N\C(C)(C)C)c1cccs1.
What is the InChIKey of methyl N-tert-butylthiophene-2-carboximidothioate?
The InChIKey is DMGIFYNRHFCPHE-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H15NS2/c1-10(2,3)11-9(12-4)8-6-5-7-13-8/h5-7H,1-4H3/b11-9-.
What are the key properties of methyl N-tert-butylthiophene-2-carboximidothioate?
methyl N-tert-butylthiophene-2-carboximidothioate has a molecular weight of 213.37 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-tert-butylthiophene-2-carboximidothioate is sourced from PubChem (CID 177486015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).