methanol;2-methylsulfanylethanamine

C4H13NOS — CID 159726964

IUPACmethanol;2-methylsulfanylethanamine
SMILESCO.CSCCN
InChIInChI=1S/C3H9NS.CH4O/c1-5-3-2-4;1-2/h2-4H2,1H3;2H,1H3
InChIKeyNATIFQPYOFJCMZ-UHFFFAOYSA-N
MW123.22 g/mol
LogP-0.08
Rot. Bonds2

About methanol;2-methylsulfanylethanamine

methanol;2-methylsulfanylethanamine (PubChem CID 159726964) has the molecular formula C4H13NOS and a molecular weight of 123.22 g/mol. Its IUPAC name is methanol;2-methylsulfanylethanamine.

Molecular Properties

Compound Namemethanol;2-methylsulfanylethanamine
PubChem CID159726964
Molecular FormulaC4H13NOS
Molecular Weight123.22 g/mol
Exact Mass123.07
IUPAC Namemethanol;2-methylsulfanylethanamine
SMILESCO.CSCCN
InChIInChI=1S/C3H9NS.CH4O/c1-5-3-2-4;1-2/h2-4H2,1H3;2H,1H3
InChIKeyNATIFQPYOFJCMZ-UHFFFAOYSA-N
XLogP-0.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methanol;2-methylsulfanylethanamine?
The IUPAC name of methanol;2-methylsulfanylethanamine (CID 159726964) is methanol;2-methylsulfanylethanamine.
What is the SMILES notation for methanol;2-methylsulfanylethanamine?
The canonical SMILES for methanol;2-methylsulfanylethanamine is CO.CSCCN.
What is the InChIKey of methanol;2-methylsulfanylethanamine?
The InChIKey is NATIFQPYOFJCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NS.CH4O/c1-5-3-2-4;1-2/h2-4H2,1H3;2H,1H3.
What are the key properties of methanol;2-methylsulfanylethanamine?
methanol;2-methylsulfanylethanamine has a molecular weight of 123.22 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-methylsulfanylethanamine is sourced from PubChem (CID 159726964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).