methyl N-methylethanimidothioate

C4H9NS — CID 12894229

IUPACmethyl N-methylethanimidothioate
SMILESC/N=C(\C)SC
InChIInChI=1S/C4H9NS/c1-4(5-2)6-3/h1-3H3/b5-4+
InChIKeyNLITYCNQKFOKBI-SNAWJCMRSA-N
MW103.19 g/mol
LogP1.40
Rot. Bonds

About methyl N-methylethanimidothioate

methyl N-methylethanimidothioate (PubChem CID 12894229) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is methyl N-methylethanimidothioate.

Molecular Properties

Compound Namemethyl N-methylethanimidothioate
PubChem CID12894229
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC Namemethyl N-methylethanimidothioate
SMILESC/N=C(\C)SC
InChIInChI=1S/C4H9NS/c1-4(5-2)6-3/h1-3H3/b5-4+
InChIKeyNLITYCNQKFOKBI-SNAWJCMRSA-N
XLogP1.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.19
LogP ≤ 51.40
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of methyl N-methylethanimidothioate?
The IUPAC name of methyl N-methylethanimidothioate (CID 12894229) is methyl N-methylethanimidothioate.
What is the SMILES notation for methyl N-methylethanimidothioate?
The canonical SMILES for methyl N-methylethanimidothioate is C/N=C(\C)SC.
What is the InChIKey of methyl N-methylethanimidothioate?
The InChIKey is NLITYCNQKFOKBI-SNAWJCMRSA-N. The full InChI is InChI=1S/C4H9NS/c1-4(5-2)6-3/h1-3H3/b5-4+.
What are the key properties of methyl N-methylethanimidothioate?
methyl N-methylethanimidothioate has a molecular weight of 103.19 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methylethanimidothioate is sourced from PubChem (CID 12894229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).