N-methylethanethioamide

C3H7NS — CID 3032483

IUPACN-methylethanethioamide
SMILESCNC(C)=S
InChIInChI=1S/C3H7NS/c1-3(5)4-2/h1-2H3,(H,4,5)
InChIKeyBNLLHLUAOXAUNQ-UHFFFAOYSA-N
MW89.16 g/mol
LogP0.55
Rot. Bonds

About N-methylethanethioamide

N-methylethanethioamide (PubChem CID 3032483) has the molecular formula C3H7NS and a molecular weight of 89.16 g/mol. Its IUPAC name is N-methylethanethioamide.

Molecular Properties

Compound NameN-methylethanethioamide
PubChem CID3032483
Molecular FormulaC3H7NS
Molecular Weight89.16 g/mol
Exact Mass89.03
IUPAC NameN-methylethanethioamide
SMILESCNC(C)=S
InChIInChI=1S/C3H7NS/c1-3(5)4-2/h1-2H3,(H,4,5)
InChIKeyBNLLHLUAOXAUNQ-UHFFFAOYSA-N
XLogP0.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.16
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylethanethioamide?
The IUPAC name of N-methylethanethioamide (CID 3032483) is N-methylethanethioamide.
What is the SMILES notation for N-methylethanethioamide?
The canonical SMILES for N-methylethanethioamide is CNC(C)=S.
What is the InChIKey of N-methylethanethioamide?
The InChIKey is BNLLHLUAOXAUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS/c1-3(5)4-2/h1-2H3,(H,4,5).
What are the key properties of N-methylethanethioamide?
N-methylethanethioamide has a molecular weight of 89.16 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethanethioamide is sourced from PubChem (CID 3032483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).