pentylthiourea;hydrochloride

C6H15ClN2S — CID 87769181

IUPACpentylthiourea;hydrochloride
SMILESCCCCCNC(N)=S.Cl
InChIInChI=1S/C6H14N2S.ClH/c1-2-3-4-5-8-6(7)9;/h2-5H2,1H3,(H3,7,8,9);1H
InChIKeyWLZQOCPILOAJPM-UHFFFAOYSA-N
MW182.72 g/mol
LogP1.43
Rot. Bonds4

About pentylthiourea;hydrochloride

pentylthiourea;hydrochloride (PubChem CID 87769181) has the molecular formula C6H15ClN2S and a molecular weight of 182.72 g/mol. Its IUPAC name is pentylthiourea;hydrochloride.

Molecular Properties

Compound Namepentylthiourea;hydrochloride
PubChem CID87769181
Molecular FormulaC6H15ClN2S
Molecular Weight182.72 g/mol
Exact Mass182.06
IUPAC Namepentylthiourea;hydrochloride
SMILESCCCCCNC(N)=S.Cl
InChIInChI=1S/C6H14N2S.ClH/c1-2-3-4-5-8-6(7)9;/h2-5H2,1H3,(H3,7,8,9);1H
InChIKeyWLZQOCPILOAJPM-UHFFFAOYSA-N
XLogP1.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.72
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-heptylthiourea
CID 19650868
12-hydroxydodecylthiourea
CID 121377187
1-(2-aminoethyl)-3-pentylthiourea
CID 87697549
1-amino-3-decylthiourea
CID 4614128
N-butyl-2-(carbamothioylamino)acetamide
CID 86103798
(pentylcarbamothioylamino)urea
CID 3705847
1-hexyl-3-(hexylcarbamothioylamino)thiourea
CID 71356977
N,N'-didodecylheptanedithioamide
CID 23451988
pentylurea;hydrate
CID 172845599
N'-octadec-9-enylethanedithioamide
CID 5135434
4-methylsulfinylbutylthiourea
CID 72679285
O-butyl N-octylcarbamothioate
CID 3037485

Frequently Asked Questions

What is the IUPAC name of pentylthiourea;hydrochloride?
The IUPAC name of pentylthiourea;hydrochloride (CID 87769181) is pentylthiourea;hydrochloride.
What is the SMILES notation for pentylthiourea;hydrochloride?
The canonical SMILES for pentylthiourea;hydrochloride is CCCCCNC(N)=S.Cl.
What is the InChIKey of pentylthiourea;hydrochloride?
The InChIKey is WLZQOCPILOAJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S.ClH/c1-2-3-4-5-8-6(7)9;/h2-5H2,1H3,(H3,7,8,9);1H.
What are the key properties of pentylthiourea;hydrochloride?
pentylthiourea;hydrochloride has a molecular weight of 182.72 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentylthiourea;hydrochloride is sourced from PubChem (CID 87769181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).