morpholine-2-thiol

C4H9NOS — CID 20573956

IUPACmorpholine-2-thiol
SMILESSC1CNCCO1
InChIInChI=1S/C4H9NOS/c7-4-3-5-1-2-6-4/h4-5,7H,1-3H2
InChIKeyGNPPFOLOFVAMQJ-UHFFFAOYSA-N
MW119.19 g/mol
LogP-0.14
Rot. Bonds

About morpholine-2-thiol

morpholine-2-thiol (PubChem CID 20573956) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is morpholine-2-thiol.

Molecular Properties

Compound Namemorpholine-2-thiol
PubChem CID20573956
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Namemorpholine-2-thiol
SMILESSC1CNCCO1
InChIInChI=1S/C4H9NOS/c7-4-3-5-1-2-6-4/h4-5,7H,1-3H2
InChIKeyGNPPFOLOFVAMQJ-UHFFFAOYSA-N
XLogP-0.14
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 162446410
CID 162446410
2-(morpholin-2-yldisulfanyl)morpholine
CID 22625305
2-(morpholin-2-ylmethyl)morpholine
CID 18506039
2-iodomorpholine;hydroiodide
CID 66958144
(2S)-2-[(2S)-oxetan-2-yl]morpholine
CID 86311966
2-morpholin-2-ylsulfinylmorpholine
CID 90151752
cyclobutane;2-methylmorpholine
CID 67675203
2-oxa-5-azabicyclo[5.1.1]nonane
CID 118209751
methanol;2-methylmorpholine
CID 144850934
(2R)-2-(difluoromethyl)morpholine
CID 97296988
(2S)-morpholine-2-carbonitrile;hydrochloride
CID 121225951
2-[[(2S)-oxiran-2-yl]methyl]morpholine
CID 87626819

Frequently Asked Questions

What is the IUPAC name of morpholine-2-thiol?
The IUPAC name of morpholine-2-thiol (CID 20573956) is morpholine-2-thiol.
What is the SMILES notation for morpholine-2-thiol?
The canonical SMILES for morpholine-2-thiol is SC1CNCCO1.
What is the InChIKey of morpholine-2-thiol?
The InChIKey is GNPPFOLOFVAMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c7-4-3-5-1-2-6-4/h4-5,7H,1-3H2.
What are the key properties of morpholine-2-thiol?
morpholine-2-thiol has a molecular weight of 119.19 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-2-thiol is sourced from PubChem (CID 20573956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).