ethenyl N-prop-1-enylmethanimidothioate

C6H9NS — CID 91557697

IUPACethenyl N-prop-1-enylmethanimidothioate
SMILESC=CS/C=N/C=CC
InChIInChI=1S/C6H9NS/c1-3-5-7-6-8-4-2/h3-6H,2H2,1H3/b5-3?,7-6+
InChIKeyDLTBQLPDZHQVQM-BDEHTBJLSA-N
MW127.21 g/mol
LogP2.42
Rot. Bonds3

About ethenyl N-prop-1-enylmethanimidothioate

ethenyl N-prop-1-enylmethanimidothioate (PubChem CID 91557697) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is ethenyl N-prop-1-enylmethanimidothioate.

Molecular Properties

Compound Nameethenyl N-prop-1-enylmethanimidothioate
PubChem CID91557697
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Nameethenyl N-prop-1-enylmethanimidothioate
SMILESC=CS/C=N/C=CC
InChIInChI=1S/C6H9NS/c1-3-5-7-6-8-4-2/h3-6H,2H2,1H3/b5-3?,7-6+
InChIKeyDLTBQLPDZHQVQM-BDEHTBJLSA-N
XLogP2.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.42
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 ethenyl N-prop-1-enylmethanimidothioate?
The IUPAC name of ethenyl N-prop-1-enylmethanimidothioate (CID 91557697) is ethenyl N-prop-1-enylmethanimidothioate.
What is the SMILES notation for ethenyl N-prop-1-enylmethanimidothioate?
The canonical SMILES for ethenyl N-prop-1-enylmethanimidothioate is C=CS/C=N/C=CC.
What is the InChIKey of ethenyl N-prop-1-enylmethanimidothioate?
The InChIKey is DLTBQLPDZHQVQM-BDEHTBJLSA-N. The full InChI is InChI=1S/C6H9NS/c1-3-5-7-6-8-4-2/h3-6H,2H2,1H3/b5-3?,7-6+.
What are the key properties of ethenyl N-prop-1-enylmethanimidothioate?
ethenyl N-prop-1-enylmethanimidothioate has a molecular weight of 127.21 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-prop-1-enylmethanimidothioate is sourced from PubChem (CID 91557697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).