N-propylthiohydroxylamine;hydrochloride

C3H10ClNS — CID 174939043

IUPACN-propylthiohydroxylamine;hydrochloride
SMILESCCCNS.Cl
InChIInChI=1S/C3H9NS.ClH/c1-2-3-4-5;/h4-5H,2-3H2,1H3;1H
InChIKeyPCNBWFCWEMAIIW-UHFFFAOYSA-N
MW127.64 g/mol
LogP1.25
Rot. Bonds2

About N-propylthiohydroxylamine;hydrochloride

N-propylthiohydroxylamine;hydrochloride (PubChem CID 174939043) has the molecular formula C3H10ClNS and a molecular weight of 127.64 g/mol. Its IUPAC name is N-propylthiohydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-propylthiohydroxylamine;hydrochloride
PubChem CID174939043
Molecular FormulaC3H10ClNS
Molecular Weight127.64 g/mol
Exact Mass127.02
IUPAC NameN-propylthiohydroxylamine;hydrochloride
SMILESCCCNS.Cl
InChIInChI=1S/C3H9NS.ClH/c1-2-3-4-5;/h4-5H,2-3H2,1H3;1H
InChIKeyPCNBWFCWEMAIIW-UHFFFAOYSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.64
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

azane;N-propylpropan-1-amine;trihydrochloride
CID 173212322
N-bromopropan-1-amine;hydrochloride
CID 172709546
N-ethylthiohydroxylamine
CID 18653762
N-ethylpropan-1-amine;methanethiol;propane
CID 143432965
butane;dihydrochloride
CID 19855579
butane;dihydrochloride
CID 175321374
N-silylpropan-1-amine
CID 123593854
bis(propylamino)phosphinic acid
CID 59603177
1-(propylamino)ethanethiol
CID 23019004
azane;N'-propylethane-1,2-diamine
CID 87476258
butane;N-methylmethanamine;hydrochloride
CID 174856882
ethane;N-[2-(methylamino)ethyl]thiohydroxylamine
CID 153374954

Frequently Asked Questions

What is the IUPAC name of N-propylthiohydroxylamine;hydrochloride?
The IUPAC name of N-propylthiohydroxylamine;hydrochloride (CID 174939043) is N-propylthiohydroxylamine;hydrochloride.
What is the SMILES notation for N-propylthiohydroxylamine;hydrochloride?
The canonical SMILES for N-propylthiohydroxylamine;hydrochloride is CCCNS.Cl.
What is the InChIKey of N-propylthiohydroxylamine;hydrochloride?
The InChIKey is PCNBWFCWEMAIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NS.ClH/c1-2-3-4-5;/h4-5H,2-3H2,1H3;1H.
What are the key properties of N-propylthiohydroxylamine;hydrochloride?
N-propylthiohydroxylamine;hydrochloride has a molecular weight of 127.64 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylthiohydroxylamine;hydrochloride is sourced from PubChem (CID 174939043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).