methyl ethanimidothioate

C3H7NS — CID 11063866

IUPACmethyl ethanimidothioate
SMILES[H]/N=C(\C)SC
InChIInChI=1S/C3H7NS/c1-3(4)5-2/h4H,1-2H3/b4-3+
InChIKeyYYKXMTXALJYVCN-ONEGZZNKSA-N
MW89.16 g/mol
LogP1.35
Rot. Bonds

About methyl ethanimidothioate

methyl ethanimidothioate (PubChem CID 11063866) has the molecular formula C3H7NS and a molecular weight of 89.16 g/mol. Its IUPAC name is methyl ethanimidothioate.

Molecular Properties

Compound Namemethyl ethanimidothioate
PubChem CID11063866
Molecular FormulaC3H7NS
Molecular Weight89.16 g/mol
Exact Mass89.03
IUPAC Namemethyl ethanimidothioate
SMILES[H]/N=C(\C)SC
InChIInChI=1S/C3H7NS/c1-3(4)5-2/h4H,1-2H3/b4-3+
InChIKeyYYKXMTXALJYVCN-ONEGZZNKSA-N
XLogP1.35
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.16
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 58544106
CID 58544106
methanol;methyl carbamimidothioate
CID 174859349
ethanimidoyl(trimethyl)azanium
CID 163584281
[(Z)-1-phenylprop-1-enyl] ethanimidothioate
CID 118227651
(1-amino-1-oxopropan-2-yl) ethanimidothioate
CID 87476191
ethanimidoyl 2,2,2-trifluoro-N-methylethanimidothioate
CID 162548151
cyclobutylmethyl ethanimidothioate
CID 142153982
cobalt;ethanimidamide
CID 162055614
ethanimidate;methane
CID 162090399
copper ethanimidate
CID 159106233
methyl 3-amino-3-methylsulfanylprop-2-enimidothioate
CID 71329952
methyl N-methanimidoylethanimidothioate
CID 129258091

Frequently Asked Questions

What is the IUPAC name of methyl ethanimidothioate?
The IUPAC name of methyl ethanimidothioate (CID 11063866) is methyl ethanimidothioate.
What is the SMILES notation for methyl ethanimidothioate?
The canonical SMILES for methyl ethanimidothioate is [H]/N=C(\C)SC.
What is the InChIKey of methyl ethanimidothioate?
The InChIKey is YYKXMTXALJYVCN-ONEGZZNKSA-N. The full InChI is InChI=1S/C3H7NS/c1-3(4)5-2/h4H,1-2H3/b4-3+.
What are the key properties of methyl ethanimidothioate?
methyl ethanimidothioate has a molecular weight of 89.16 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl ethanimidothioate is sourced from PubChem (CID 11063866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).