5-tert-butylsulfanylpyridine-2-carboximidamide;hydrochloride

C10H16ClN3S — CID 71756586

IUPAC5-tert-butylsulfanylpyridine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(SC(C)(C)C)cn1
InChIInChI=1S/C10H15N3S.ClH/c1-10(2,3)14-7-4-5-8(9(11)12)13-6-7;/h4-6H,1-3H3,(H3,11,12);1H
InChIKeyWNQRMUHZBBWGCP-UHFFFAOYSA-N
MW245.78 g/mol
LogP2.68
Rot. Bonds2

About 5-tert-butylsulfanylpyridine-2-carboximidamide;hydrochloride

5-tert-butylsulfanylpyridine-2-carboximidamide;hydrochloride (PubChem CID 71756586) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 5-tert-butylsulfanylpyridine-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name5-tert-butylsulfanylpyridine-2-carboximidamide;hydrochloride
PubChem CID71756586
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name5-tert-butylsulfanylpyridine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(SC(C)(C)C)cn1
InChIInChI=1S/C10H15N3S.ClH/c1-10(2,3)14-7-4-5-8(9(11)12)13-6-7;/h4-6H,1-3H3,(H3,11,12);1H
InChIKeyWNQRMUHZBBWGCP-UHFFFAOYSA-N
XLogP2.68
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 52.68
H-Bond Donors ≤ 52
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 5-tert-butylsulfanylpyridine-2-carboximidamide;hydrochloride?
The IUPAC name of 5-tert-butylsulfanylpyridine-2-carboximidamide;hydrochloride (CID 71756586) is 5-tert-butylsulfanylpyridine-2-carboximidamide;hydrochloride.
What is the SMILES notation for 5-tert-butylsulfanylpyridine-2-carboximidamide;hydrochloride?
The canonical SMILES for 5-tert-butylsulfanylpyridine-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(SC(C)(C)C)cn1.
What is the InChIKey of 5-tert-butylsulfanylpyridine-2-carboximidamide;hydrochloride?
The InChIKey is WNQRMUHZBBWGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S.ClH/c1-10(2,3)14-7-4-5-8(9(11)12)13-6-7;/h4-6H,1-3H3,(H3,11,12);1H.
What are the key properties of 5-tert-butylsulfanylpyridine-2-carboximidamide;hydrochloride?
5-tert-butylsulfanylpyridine-2-carboximidamide;hydrochloride has a molecular weight of 245.78 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfanylpyridine-2-carboximidamide;hydrochloride is sourced from PubChem (CID 71756586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).