prop-2-enyl N-methylmethanimidothioate

C5H9NS — CID 163608318

IUPACprop-2-enyl N-methylmethanimidothioate
SMILESC=CCS/C=N/C
InChIInChI=1S/C5H9NS/c1-3-4-7-5-6-2/h3,5H,1,4H2,2H3/b6-5+
InChIKeyHDSPYGMQBBUMPG-AATRIKPKSA-N
MW115.20 g/mol
LogP1.56
Rot. Bonds3

About prop-2-enyl N-methylmethanimidothioate

prop-2-enyl N-methylmethanimidothioate (PubChem CID 163608318) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is prop-2-enyl N-methylmethanimidothioate.

Molecular Properties

Compound Nameprop-2-enyl N-methylmethanimidothioate
PubChem CID163608318
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Nameprop-2-enyl N-methylmethanimidothioate
SMILESC=CCS/C=N/C
InChIInChI=1S/C5H9NS/c1-3-4-7-5-6-2/h3,5H,1,4H2,2H3/b6-5+
InChIKeyHDSPYGMQBBUMPG-AATRIKPKSA-N
XLogP1.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethylbut-2-enyl N-methylmethanimidothioate
CID 88954398
2-methylbutyl N-methylmethanimidothioate
CID 135141123
2-prop-2-enylsulfanylprop-2-ene-1-thiol
CID 173025235
(Z)-1-(prop-2-enyldisulfanyl)prop-1-ene
CID 5352907
trimethyl(prop-2-enylsulfanyl)azanium
CID 174540923
[(Z)-2-prop-2-enylsulfanylethenyl]benzene
CID 11041259
(2E)-2-ethylidene-N-methylpent-4-en-1-imine
CID 144940239
3-(2-ethylsulfanylethylsulfanyl)prop-1-ene
CID 131107230
methyl-methylidene-(methyliminomethylsulfanyl)azanium
CID 88935181
2-methyl-3-prop-2-enylsulfanylbutane
CID 525492
dodecane-1-thiol;3-prop-2-enylsulfanylprop-1-ene
CID 174643113
2-methyl-3-prop-2-enylsulfanylprop-1-ene
CID 10953531

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-methylmethanimidothioate?
The IUPAC name of prop-2-enyl N-methylmethanimidothioate (CID 163608318) is prop-2-enyl N-methylmethanimidothioate.
What is the SMILES notation for prop-2-enyl N-methylmethanimidothioate?
The canonical SMILES for prop-2-enyl N-methylmethanimidothioate is C=CCS/C=N/C.
What is the InChIKey of prop-2-enyl N-methylmethanimidothioate?
The InChIKey is HDSPYGMQBBUMPG-AATRIKPKSA-N. The full InChI is InChI=1S/C5H9NS/c1-3-4-7-5-6-2/h3,5H,1,4H2,2H3/b6-5+.
What are the key properties of prop-2-enyl N-methylmethanimidothioate?
prop-2-enyl N-methylmethanimidothioate has a molecular weight of 115.20 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-methylmethanimidothioate is sourced from PubChem (CID 163608318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).