N-(2-methoxyethyl)methanethioamide

C4H9NOS — CID 54545348

IUPACN-(2-methoxyethyl)methanethioamide
SMILESCOCCNC=S
InChIInChI=1S/C4H9NOS/c1-6-3-2-5-4-7/h4H,2-3H2,1H3,(H,5,7)
InChIKeyLNSOWFRSEZXMMJ-UHFFFAOYSA-N
MW119.19 g/mol
LogP0.18
Rot. Bonds4

About N-(2-methoxyethyl)methanethioamide

N-(2-methoxyethyl)methanethioamide (PubChem CID 54545348) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is N-(2-methoxyethyl)methanethioamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)methanethioamide
PubChem CID54545348
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC NameN-(2-methoxyethyl)methanethioamide
SMILESCOCCNC=S
InChIInChI=1S/C4H9NOS/c1-6-3-2-5-4-7/h4H,2-3H2,1H3,(H,5,7)
InChIKeyLNSOWFRSEZXMMJ-UHFFFAOYSA-N
XLogP0.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)methanethioamide?
The IUPAC name of N-(2-methoxyethyl)methanethioamide (CID 54545348) is N-(2-methoxyethyl)methanethioamide.
What is the SMILES notation for N-(2-methoxyethyl)methanethioamide?
The canonical SMILES for N-(2-methoxyethyl)methanethioamide is COCCNC=S.
What is the InChIKey of N-(2-methoxyethyl)methanethioamide?
The InChIKey is LNSOWFRSEZXMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c1-6-3-2-5-4-7/h4H,2-3H2,1H3,(H,5,7).
What are the key properties of N-(2-methoxyethyl)methanethioamide?
N-(2-methoxyethyl)methanethioamide has a molecular weight of 119.19 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)methanethioamide is sourced from PubChem (CID 54545348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).