4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione;hydrochloride

C6H12ClN3S — CID 86621794

IUPAC4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione;hydrochloride
SMILESCl.NCCCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C6H11N3S.ClH/c7-3-1-2-5-4-8-6(10)9-5;/h4H,1-3,7H2,(H2,8,9,10);1H
InChIKeyXRXQLPVPHZHPKL-UHFFFAOYSA-N
MW193.70 g/mol
LogP1.39
Rot. Bonds3

About 4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione;hydrochloride

4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione;hydrochloride (PubChem CID 86621794) has the molecular formula C6H12ClN3S and a molecular weight of 193.70 g/mol. Its IUPAC name is 4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione;hydrochloride.

Molecular Properties

Compound Name4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione;hydrochloride
PubChem CID86621794
Molecular FormulaC6H12ClN3S
Molecular Weight193.70 g/mol
Exact Mass193.04
IUPAC Name4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione;hydrochloride
SMILESCl.NCCCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C6H11N3S.ClH/c7-3-1-2-5-4-8-6(10)9-5;/h4H,1-3,7H2,(H2,8,9,10);1H
InChIKeyXRXQLPVPHZHPKL-UHFFFAOYSA-N
XLogP1.39
TPSA57.60 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.70
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione;hydrochloride?
The IUPAC name of 4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione;hydrochloride (CID 86621794) is 4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione;hydrochloride.
What is the SMILES notation for 4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione;hydrochloride?
The canonical SMILES for 4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione;hydrochloride is Cl.NCCCc1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione;hydrochloride?
The InChIKey is XRXQLPVPHZHPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S.ClH/c7-3-1-2-5-4-8-6(10)9-5;/h4H,1-3,7H2,(H2,8,9,10);1H.
What are the key properties of 4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione;hydrochloride?
4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione;hydrochloride has a molecular weight of 193.70 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione;hydrochloride is sourced from PubChem (CID 86621794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).