propylamino thiohypochlorite

C3H8ClNS — CID 88818855

IUPACpropylamino thiohypochlorite
SMILESCCCNSCl
InChIInChI=1S/C3H8ClNS/c1-2-3-5-6-4/h5H,2-3H2,1H3
InChIKeyTZQPWAYRXWHGIO-UHFFFAOYSA-N
MW125.62 g/mol
LogP1.79
Rot. Bonds3

About propylamino thiohypochlorite

propylamino thiohypochlorite (PubChem CID 88818855) has the molecular formula C3H8ClNS and a molecular weight of 125.62 g/mol. Its IUPAC name is propylamino thiohypochlorite.

Molecular Properties

Compound Namepropylamino thiohypochlorite
PubChem CID88818855
Molecular FormulaC3H8ClNS
Molecular Weight125.62 g/mol
Exact Mass125.01
IUPAC Namepropylamino thiohypochlorite
SMILESCCCNSCl
InChIInChI=1S/C3H8ClNS/c1-2-3-5-6-4/h5H,2-3H2,1H3
InChIKeyTZQPWAYRXWHGIO-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.62
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze propylamino thiohypochlorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Propylamine
CID 7852
Propylamine hydrochloride
CID 11165
Ethylamine hydrochloride
CID 11198
Ethylazanium chloride
CID 521681
Propylazanium chloride
CID 11789132
n-Propylamine
CID 3483736
(~2~H_5_)Ethanamine--hydrogen chloride (1/1)
CID 16213297
Ethan(~15~N)amine--hydrogen chloride (1/1)
CID 16213571
Propylamine-15N hydrochloride
CID 16213611
Propan-1-(~15~N)amine
CID 16213612
Propyl-d7-amine
CID 59248895
N-chloropropan-1-amine
CID 12815211

Frequently Asked Questions

What is the IUPAC name of propylamino thiohypochlorite?
The IUPAC name of propylamino thiohypochlorite (CID 88818855) is propylamino thiohypochlorite.
What is the SMILES notation for propylamino thiohypochlorite?
The canonical SMILES for propylamino thiohypochlorite is CCCNSCl.
What is the InChIKey of propylamino thiohypochlorite?
The InChIKey is TZQPWAYRXWHGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClNS/c1-2-3-5-6-4/h5H,2-3H2,1H3.
What are the key properties of propylamino thiohypochlorite?
propylamino thiohypochlorite has a molecular weight of 125.62 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propylamino thiohypochlorite is sourced from PubChem (CID 88818855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).