2-chloro-N'-(2-thiophen-3-ylethyl)ethanimidamide;hydrochloride

C8H12Cl2N2S — CID 21144610

IUPAC2-chloro-N'-(2-thiophen-3-ylethyl)ethanimidamide;hydrochloride
SMILESCl.N/C(CCl)=N/CCc1ccsc1
InChIInChI=1S/C8H11ClN2S.ClH/c9-5-8(10)11-3-1-7-2-4-12-6-7;/h2,4,6H,1,3,5H2,(H2,10,11);1H
InChIKeyFHYOKIIDCXSRFL-UHFFFAOYSA-N
MW239.17 g/mol
LogP2.31
Rot. Bonds4

About 2-chloro-N'-(2-thiophen-3-ylethyl)ethanimidamide;hydrochloride

2-chloro-N'-(2-thiophen-3-ylethyl)ethanimidamide;hydrochloride (PubChem CID 21144610) has the molecular formula C8H12Cl2N2S and a molecular weight of 239.17 g/mol. Its IUPAC name is 2-chloro-N'-(2-thiophen-3-ylethyl)ethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N'-(2-thiophen-3-ylethyl)ethanimidamide;hydrochloride
PubChem CID21144610
Molecular FormulaC8H12Cl2N2S
Molecular Weight239.17 g/mol
Exact Mass238.01
IUPAC Name2-chloro-N'-(2-thiophen-3-ylethyl)ethanimidamide;hydrochloride
SMILESCl.N/C(CCl)=N/CCc1ccsc1
InChIInChI=1S/C8H11ClN2S.ClH/c9-5-8(10)11-3-1-7-2-4-12-6-7;/h2,4,6H,1,3,5H2,(H2,10,11);1H
InChIKeyFHYOKIIDCXSRFL-UHFFFAOYSA-N
XLogP2.31
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 2-chloro-N'-(2-thiophen-3-ylethyl)ethanimidamide;hydrochloride?
The IUPAC name of 2-chloro-N'-(2-thiophen-3-ylethyl)ethanimidamide;hydrochloride (CID 21144610) is 2-chloro-N'-(2-thiophen-3-ylethyl)ethanimidamide;hydrochloride.
What is the SMILES notation for 2-chloro-N'-(2-thiophen-3-ylethyl)ethanimidamide;hydrochloride?
The canonical SMILES for 2-chloro-N'-(2-thiophen-3-ylethyl)ethanimidamide;hydrochloride is Cl.N/C(CCl)=N/CCc1ccsc1.
What is the InChIKey of 2-chloro-N'-(2-thiophen-3-ylethyl)ethanimidamide;hydrochloride?
The InChIKey is FHYOKIIDCXSRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S.ClH/c9-5-8(10)11-3-1-7-2-4-12-6-7;/h2,4,6H,1,3,5H2,(H2,10,11);1H.
What are the key properties of 2-chloro-N'-(2-thiophen-3-ylethyl)ethanimidamide;hydrochloride?
2-chloro-N'-(2-thiophen-3-ylethyl)ethanimidamide;hydrochloride has a molecular weight of 239.17 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2-thiophen-3-ylethyl)ethanimidamide;hydrochloride is sourced from PubChem (CID 21144610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).