2-imino-2-morpholin-4-ylethanethiol

C6H12N2OS — CID 45088634

IUPAC2-imino-2-morpholin-4-ylethanethiol
SMILES[H]/N=C(\CS)N1CCOCC1
InChIInChI=1S/C6H12N2OS/c7-6(5-10)8-1-3-9-4-2-8/h7,10H,1-5H2/b7-6+
InChIKeyZIFTYVCJJZEEJG-VOTSOKGWSA-N
MW160.24 g/mol
LogP0.23
Rot. Bonds1

About 2-imino-2-morpholin-4-ylethanethiol

2-imino-2-morpholin-4-ylethanethiol (PubChem CID 45088634) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-imino-2-morpholin-4-ylethanethiol.

Molecular Properties

Compound Name2-imino-2-morpholin-4-ylethanethiol
PubChem CID45088634
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Name2-imino-2-morpholin-4-ylethanethiol
SMILES[H]/N=C(\CS)N1CCOCC1
InChIInChI=1S/C6H12N2OS/c7-6(5-10)8-1-3-9-4-2-8/h7,10H,1-5H2/b7-6+
InChIKeyZIFTYVCJJZEEJG-VOTSOKGWSA-N
XLogP0.23
TPSA36.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-2-morpholin-4-ylethanethiol?
The IUPAC name of 2-imino-2-morpholin-4-ylethanethiol (CID 45088634) is 2-imino-2-morpholin-4-ylethanethiol.
What is the SMILES notation for 2-imino-2-morpholin-4-ylethanethiol?
The canonical SMILES for 2-imino-2-morpholin-4-ylethanethiol is [H]/N=C(\CS)N1CCOCC1.
What is the InChIKey of 2-imino-2-morpholin-4-ylethanethiol?
The InChIKey is ZIFTYVCJJZEEJG-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H12N2OS/c7-6(5-10)8-1-3-9-4-2-8/h7,10H,1-5H2/b7-6+.
What are the key properties of 2-imino-2-morpholin-4-ylethanethiol?
2-imino-2-morpholin-4-ylethanethiol has a molecular weight of 160.24 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-2-morpholin-4-ylethanethiol is sourced from PubChem (CID 45088634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).