2-(cyclohexyliminomethyl)thiophene-3-thiol

C11H15NS2 — CID 566472

IUPAC2-(cyclohexyliminomethyl)thiophene-3-thiol
SMILESSc1ccsc1/C=N/C1CCCCC1
InChIInChI=1S/C11H15NS2/c13-10-6-7-14-11(10)8-12-9-4-2-1-3-5-9/h6-9,13H,1-5H2/b12-8+
InChIKeyPBRQILPAJQNZMF-XYOKQWHBSA-N
MW225.38 g/mol
LogP3.79
Rot. Bonds2

About 2-(cyclohexyliminomethyl)thiophene-3-thiol

2-(cyclohexyliminomethyl)thiophene-3-thiol (PubChem CID 566472) has the molecular formula C11H15NS2 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-(cyclohexyliminomethyl)thiophene-3-thiol.

Molecular Properties

Compound Name2-(cyclohexyliminomethyl)thiophene-3-thiol
PubChem CID566472
Molecular FormulaC11H15NS2
Molecular Weight225.38 g/mol
Exact Mass225.06
IUPAC Name2-(cyclohexyliminomethyl)thiophene-3-thiol
SMILESSc1ccsc1/C=N/C1CCCCC1
InChIInChI=1S/C11H15NS2/c13-10-6-7-14-11(10)8-12-9-4-2-1-3-5-9/h6-9,13H,1-5H2/b12-8+
InChIKeyPBRQILPAJQNZMF-XYOKQWHBSA-N
XLogP3.79
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-(1r,2r)-cyclohexane-1,2-diylbis[1-(thiene-2-yl)methanimine]
CID 9972196
1-Butanamine, N-(2-thienylmethylene)-
CID 11171192
2-(2-Thienyl)-3,4,5,6-tetrahydropyridine
CID 12009047
(E)-N-Propyl-1-(thiophen-2-yl)methanimine
CID 15349860
2-(3-Isothiocyanatopropyl)thiophene
CID 566161
N-propan-2-yl-1-thiophen-2-ylethanimine
CID 11252222
(E)-N-Cyclopropyl-1-(thiophen-2-yl)methanimine
CID 71425863
1-(3-bromothiophen-2-yl)-N-cyclohexylmethanimine
CID 121222757
N-(5-methyl-2-thienylmethylidene)-2-thiolethylamine
CID 129774342
N^1^,N^4^-Bis(2-thienylmethylene)cyclohexane-1,4-diamine
CID 139077473
(5E)-5-(thiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridine
CID 162400437
2-(2-Isothiocyanatopropyl)thiophene
CID 63292130

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexyliminomethyl)thiophene-3-thiol?
The IUPAC name of 2-(cyclohexyliminomethyl)thiophene-3-thiol (CID 566472) is 2-(cyclohexyliminomethyl)thiophene-3-thiol.
What is the SMILES notation for 2-(cyclohexyliminomethyl)thiophene-3-thiol?
The canonical SMILES for 2-(cyclohexyliminomethyl)thiophene-3-thiol is Sc1ccsc1/C=N/C1CCCCC1.
What is the InChIKey of 2-(cyclohexyliminomethyl)thiophene-3-thiol?
The InChIKey is PBRQILPAJQNZMF-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H15NS2/c13-10-6-7-14-11(10)8-12-9-4-2-1-3-5-9/h6-9,13H,1-5H2/b12-8+.
What are the key properties of 2-(cyclohexyliminomethyl)thiophene-3-thiol?
2-(cyclohexyliminomethyl)thiophene-3-thiol has a molecular weight of 225.38 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexyliminomethyl)thiophene-3-thiol is sourced from PubChem (CID 566472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).