N-methylethanethioamide;hydroiodide

C3H8INS — CID 74891920

IUPACN-methylethanethioamide;hydroiodide
SMILESCNC(C)=S.I
InChIInChI=1S/C3H7NS.HI/c1-3(5)4-2;/h1-2H3,(H,4,5);1H
InChIKeyGAZHUGJQMZRNGJ-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.17
Rot. Bonds

About N-methylethanethioamide;hydroiodide

N-methylethanethioamide;hydroiodide (PubChem CID 74891920) has the molecular formula C3H8INS and a molecular weight of 217.07 g/mol. Its IUPAC name is N-methylethanethioamide;hydroiodide.

Molecular Properties

Compound NameN-methylethanethioamide;hydroiodide
PubChem CID74891920
Molecular FormulaC3H8INS
Molecular Weight217.07 g/mol
Exact Mass216.94
IUPAC NameN-methylethanethioamide;hydroiodide
SMILESCNC(C)=S.I
InChIInChI=1S/C3H7NS.HI/c1-3(5)4-2;/h1-2H3,(H,4,5);1H
InChIKeyGAZHUGJQMZRNGJ-UHFFFAOYSA-N
XLogP1.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylethanethioamide;hydroiodide?
The IUPAC name of N-methylethanethioamide;hydroiodide (CID 74891920) is N-methylethanethioamide;hydroiodide.
What is the SMILES notation for N-methylethanethioamide;hydroiodide?
The canonical SMILES for N-methylethanethioamide;hydroiodide is CNC(C)=S.I.
What is the InChIKey of N-methylethanethioamide;hydroiodide?
The InChIKey is GAZHUGJQMZRNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS.HI/c1-3(5)4-2;/h1-2H3,(H,4,5);1H.
What are the key properties of N-methylethanethioamide;hydroiodide?
N-methylethanethioamide;hydroiodide has a molecular weight of 217.07 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethanethioamide;hydroiodide is sourced from PubChem (CID 74891920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).