[(Z)-prop-1-enyl] N-ethenylmethanimidothioate

C6H9NS — CID 134322554

IUPAC[(Z)-prop-1-enyl] N-ethenylmethanimidothioate
SMILESC=C/N=C/S/C=C\C
InChIInChI=1S/C6H9NS/c1-3-5-8-6-7-4-2/h3-6H,2H2,1H3/b5-3-,7-6+
InChIKeyBQIRGMKLJUGIOE-AIJKMKQJSA-N
MW127.21 g/mol
LogP2.42
Rot. Bonds3

About [(Z)-prop-1-enyl] N-ethenylmethanimidothioate

[(Z)-prop-1-enyl] N-ethenylmethanimidothioate (PubChem CID 134322554) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is [(Z)-prop-1-enyl] N-ethenylmethanimidothioate.

Molecular Properties

Compound Name[(Z)-prop-1-enyl] N-ethenylmethanimidothioate
PubChem CID134322554
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name[(Z)-prop-1-enyl] N-ethenylmethanimidothioate
SMILESC=C/N=C/S/C=C\C
InChIInChI=1S/C6H9NS/c1-3-5-8-6-7-4-2/h3-6H,2H2,1H3/b5-3-,7-6+
InChIKeyBQIRGMKLJUGIOE-AIJKMKQJSA-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 [(Z)-prop-1-enyl] N-ethenylmethanimidothioate?
The IUPAC name of [(Z)-prop-1-enyl] N-ethenylmethanimidothioate (CID 134322554) is [(Z)-prop-1-enyl] N-ethenylmethanimidothioate.
What is the SMILES notation for [(Z)-prop-1-enyl] N-ethenylmethanimidothioate?
The canonical SMILES for [(Z)-prop-1-enyl] N-ethenylmethanimidothioate is C=C/N=C/S/C=C\C.
What is the InChIKey of [(Z)-prop-1-enyl] N-ethenylmethanimidothioate?
The InChIKey is BQIRGMKLJUGIOE-AIJKMKQJSA-N. The full InChI is InChI=1S/C6H9NS/c1-3-5-8-6-7-4-2/h3-6H,2H2,1H3/b5-3-,7-6+.
What are the key properties of [(Z)-prop-1-enyl] N-ethenylmethanimidothioate?
[(Z)-prop-1-enyl] N-ethenylmethanimidothioate 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 [(Z)-prop-1-enyl] N-ethenylmethanimidothioate is sourced from PubChem (CID 134322554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).