pentanethioamide;hydrochloride

C5H12ClNS — CID 140974365

IUPACpentanethioamide;hydrochloride
SMILESCCCCC(N)=S.Cl
InChIInChI=1S/C5H11NS.ClH/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H2,6,7);1H
InChIKeyOKBYHHAZRCFJTP-UHFFFAOYSA-N
MW153.68 g/mol
LogP1.88
Rot. Bonds3

About pentanethioamide;hydrochloride

pentanethioamide;hydrochloride (PubChem CID 140974365) has the molecular formula C5H12ClNS and a molecular weight of 153.68 g/mol. Its IUPAC name is pentanethioamide;hydrochloride.

Molecular Properties

Compound Namepentanethioamide;hydrochloride
PubChem CID140974365
Molecular FormulaC5H12ClNS
Molecular Weight153.68 g/mol
Exact Mass153.04
IUPAC Namepentanethioamide;hydrochloride
SMILESCCCCC(N)=S.Cl
InChIInChI=1S/C5H11NS.ClH/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H2,6,7);1H
InChIKeyOKBYHHAZRCFJTP-UHFFFAOYSA-N
XLogP1.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.68
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)butanethioamide;hydrochloride
CID 18941076
3-[dodecyl(methyl)amino]propanethioamide
CID 63515133
3-hexoxypropanethioamide
CID 29002450
4-[butyl(cyclopropyl)amino]butanethioamide
CID 61441835
acetamide;pentanamide;dihydrochloride
CID 141201232
4-(4-propylphenyl)butanethioamide
CID 83921539
pentanoic acid;urea;hydrochloride
CID 174794672
1-(3-amino-3-sulfanylidenepropyl)-3-butylurea
CID 62666323
3-hexylsulfonylpropanethioamide
CID 82182259
acetamide;pentanamide
CID 158041283
pentanedithioic acid;stibane
CID 174261271
3-methylhept-2-en-2-amine
CID 87258436

Frequently Asked Questions

What is the IUPAC name of pentanethioamide;hydrochloride?
The IUPAC name of pentanethioamide;hydrochloride (CID 140974365) is pentanethioamide;hydrochloride.
What is the SMILES notation for pentanethioamide;hydrochloride?
The canonical SMILES for pentanethioamide;hydrochloride is CCCCC(N)=S.Cl.
What is the InChIKey of pentanethioamide;hydrochloride?
The InChIKey is OKBYHHAZRCFJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS.ClH/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H2,6,7);1H.
What are the key properties of pentanethioamide;hydrochloride?
pentanethioamide;hydrochloride has a molecular weight of 153.68 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentanethioamide;hydrochloride is sourced from PubChem (CID 140974365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).