azetidine-3-thiol

C3H7NS — CID 10920514

IUPACazetidine-3-thiol
SMILESSC1CNC1
InChIInChI=1S/C3H7NS/c5-3-1-4-2-3/h3-5H,1-2H2
InChIKeyODDWEBIFYYPVNZ-UHFFFAOYSA-N
MW89.16 g/mol
LogP-0.11
Rot. Bonds

About azetidine-3-thiol

azetidine-3-thiol (PubChem CID 10920514) has the molecular formula C3H7NS and a molecular weight of 89.16 g/mol. Its IUPAC name is azetidine-3-thiol.

Molecular Properties

Compound Nameazetidine-3-thiol
PubChem CID10920514
Molecular FormulaC3H7NS
Molecular Weight89.16 g/mol
Exact Mass89.03
IUPAC Nameazetidine-3-thiol
SMILESSC1CNC1
InChIInChI=1S/C3H7NS/c5-3-1-4-2-3/h3-5H,1-2H2
InChIKeyODDWEBIFYYPVNZ-UHFFFAOYSA-N
XLogP-0.11
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.16
LogP ≤ 5-0.11
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

2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-5-thiol
CID 141422755
(5R)-5-(fluoromethyl)piperidine-3-thiol
CID 167133080
(3S)-piperidine-3-thiol
CID 87194956
piperidine-3-thiol;hydrochloride
CID 56604780
3-(disulfanyl)azetidine
CID 126561623
(1S,5S)-3-azabicyclo[3.2.0]heptane
CID 86330104
azetidin-3-ol;hydrobromide
CID 142777193
ethane;3-methylazetidine
CID 90730870
3-azabicyclo[3.2.2]nonane
CID 9240
3,5-dimethylpiperidin-4-amine
CID 10171243
1,6-dimethylpiperazine-2-thiol
CID 142071790
methanamine;piperidine-3-thiol
CID 145273838

Frequently Asked Questions

What is the IUPAC name of azetidine-3-thiol?
The IUPAC name of azetidine-3-thiol (CID 10920514) is azetidine-3-thiol.
What is the SMILES notation for azetidine-3-thiol?
The canonical SMILES for azetidine-3-thiol is SC1CNC1.
What is the InChIKey of azetidine-3-thiol?
The InChIKey is ODDWEBIFYYPVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS/c5-3-1-4-2-3/h3-5H,1-2H2.
What are the key properties of azetidine-3-thiol?
azetidine-3-thiol has a molecular weight of 89.16 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine-3-thiol is sourced from PubChem (CID 10920514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).