2-morpholin-3-ylethanethiol

C6H13NOS — CID 57310825

IUPAC2-morpholin-3-ylethanethiol
SMILESSCCC1COCCN1
InChIInChI=1S/C6H13NOS/c9-4-1-6-5-8-3-2-7-6/h6-7,9H,1-5H2
InChIKeyTYTSJEQVCGTROM-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.29
Rot. Bonds2

About 2-morpholin-3-ylethanethiol

2-morpholin-3-ylethanethiol (PubChem CID 57310825) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 2-morpholin-3-ylethanethiol.

Molecular Properties

Compound Name2-morpholin-3-ylethanethiol
PubChem CID57310825
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name2-morpholin-3-ylethanethiol
SMILESSCCC1COCCN1
InChIInChI=1S/C6H13NOS/c9-4-1-6-5-8-3-2-7-6/h6-7,9H,1-5H2
InChIKeyTYTSJEQVCGTROM-UHFFFAOYSA-N
XLogP0.29
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-3-ylethanethiol?
The IUPAC name of 2-morpholin-3-ylethanethiol (CID 57310825) is 2-morpholin-3-ylethanethiol.
What is the SMILES notation for 2-morpholin-3-ylethanethiol?
The canonical SMILES for 2-morpholin-3-ylethanethiol is SCCC1COCCN1.
What is the InChIKey of 2-morpholin-3-ylethanethiol?
The InChIKey is TYTSJEQVCGTROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c9-4-1-6-5-8-3-2-7-6/h6-7,9H,1-5H2.
What are the key properties of 2-morpholin-3-ylethanethiol?
2-morpholin-3-ylethanethiol has a molecular weight of 147.24 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-3-ylethanethiol is sourced from PubChem (CID 57310825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).