methyl N-methylprop-2-enimidothioate

C5H9NS — CID 91101058

IUPACmethyl N-methylprop-2-enimidothioate
SMILESC=C/C(=N\C)SC
InChIInChI=1S/C5H9NS/c1-4-5(6-2)7-3/h4H,1H2,2-3H3/b6-5+
InChIKeyUNNIPZYIMNPMKO-AATRIKPKSA-N
MW115.20 g/mol
LogP1.56
Rot. Bonds1

About methyl N-methylprop-2-enimidothioate

methyl N-methylprop-2-enimidothioate (PubChem CID 91101058) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is methyl N-methylprop-2-enimidothioate.

Molecular Properties

Compound Namemethyl N-methylprop-2-enimidothioate
PubChem CID91101058
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Namemethyl N-methylprop-2-enimidothioate
SMILESC=C/C(=N\C)SC
InChIInChI=1S/C5H9NS/c1-4-5(6-2)7-3/h4H,1H2,2-3H3/b6-5+
InChIKeyUNNIPZYIMNPMKO-AATRIKPKSA-N
XLogP1.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.56
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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Related Compounds

methyl N-ethyl-4-methylpenta-2,3-dienimidothioate
CID 11829857
methyl 2-(methylsulfanyl)-N-methylbuta-2,3-dienimidothioate
CID 129752168
methyl N-methylbuta-2,3-dienimidothioate
CID 129864867
[(E)-prop-1-enyl] N-methylethanimidothioate
CID 89266207
N-methyl-1-(methyl-methylsulfanyl-sulfanyl-lambda4-sulfanyl)but-2-en-1-imine
CID 123277845
methyl N-methylbut-2-enimidothioate
CID 123791195
prop-1-enyl N-methylethanimidothioate
CID 124034581
[(E)-but-1-enyl] N-methylethanimidothioate
CID 142855409
propa-1,2-dienyl N-methylethanimidothioate
CID 143701509
methyl N-ethenylprop-2-enimidothioate
CID 144186003
ethane;[(Z)-prop-1-enyl] N-methylethanimidothioate
CID 144410529
methyl (Z)-N-methylbut-2-enimidothioate
CID 149380981

Frequently Asked Questions

What is the IUPAC name of methyl N-methylprop-2-enimidothioate?
The IUPAC name of methyl N-methylprop-2-enimidothioate (CID 91101058) is methyl N-methylprop-2-enimidothioate.
What is the SMILES notation for methyl N-methylprop-2-enimidothioate?
The canonical SMILES for methyl N-methylprop-2-enimidothioate is C=C/C(=N\C)SC.
What is the InChIKey of methyl N-methylprop-2-enimidothioate?
The InChIKey is UNNIPZYIMNPMKO-AATRIKPKSA-N. The full InChI is InChI=1S/C5H9NS/c1-4-5(6-2)7-3/h4H,1H2,2-3H3/b6-5+.
What are the key properties of methyl N-methylprop-2-enimidothioate?
methyl N-methylprop-2-enimidothioate has a molecular weight of 115.20 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methylprop-2-enimidothioate is sourced from PubChem (CID 91101058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).