ethyl N-prop-1-enylmethanimidothioate

C6H11NS — CID 123467621

IUPACethyl N-prop-1-enylmethanimidothioate
SMILESCC=C/N=C/SCC
InChIInChI=1S/C6H11NS/c1-3-5-7-6-8-4-2/h3,5-6H,4H2,1-2H3/b5-3?,7-6+
InChIKeyKLTYLUSDJIXNCF-BDEHTBJLSA-N
MW129.23 g/mol
LogP2.30
Rot. Bonds3

About ethyl N-prop-1-enylmethanimidothioate

ethyl N-prop-1-enylmethanimidothioate (PubChem CID 123467621) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is ethyl N-prop-1-enylmethanimidothioate.

Molecular Properties

Compound Nameethyl N-prop-1-enylmethanimidothioate
PubChem CID123467621
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Nameethyl N-prop-1-enylmethanimidothioate
SMILESCC=C/N=C/SCC
InChIInChI=1S/C6H11NS/c1-3-5-7-6-8-4-2/h3,5-6H,4H2,1-2H3/b5-3?,7-6+
InChIKeyKLTYLUSDJIXNCF-BDEHTBJLSA-N
XLogP2.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 52.30
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

1,3-Thiazepine
CID 12444277
6H-1,3-Thiazin
CID 12444279
2-methylsulfanyl-6H-1,3-thiazine
CID 21433841
ethyl N-ethenylmethanimidothioate
CID 88935172
methyl N-[(Z)-prop-1-enyl]methanimidothioate
CID 89336407
N-[(Z)-2-ethenylsulfanylprop-1-enyl]methanimine
CID 89337888
N-[(Z)-2-methylsulfanylprop-1-enyl]methanimine
CID 89339741
ethenyl N-prop-1-enylmethanimidothioate
CID 91557697
6-ethyl-6H-1,3-thiazine
CID 117881268
6H-1,3-thiazine;hydrochloride
CID 121482080
7,8-dihydro-6H-1,3-thiazocine
CID 123158027
N-(2-prop-1-enylsulfanylethenyl)ethanimine
CID 123338893

Frequently Asked Questions

What is the IUPAC name of ethyl N-prop-1-enylmethanimidothioate?
The IUPAC name of ethyl N-prop-1-enylmethanimidothioate (CID 123467621) is ethyl N-prop-1-enylmethanimidothioate.
What is the SMILES notation for ethyl N-prop-1-enylmethanimidothioate?
The canonical SMILES for ethyl N-prop-1-enylmethanimidothioate is CC=C/N=C/SCC.
What is the InChIKey of ethyl N-prop-1-enylmethanimidothioate?
The InChIKey is KLTYLUSDJIXNCF-BDEHTBJLSA-N. The full InChI is InChI=1S/C6H11NS/c1-3-5-7-6-8-4-2/h3,5-6H,4H2,1-2H3/b5-3?,7-6+.
What are the key properties of ethyl N-prop-1-enylmethanimidothioate?
ethyl N-prop-1-enylmethanimidothioate has a molecular weight of 129.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-prop-1-enylmethanimidothioate is sourced from PubChem (CID 123467621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).