1-methylsulfanyl-N-[(E)-prop-1-enyl]methanimidoyl chloride

C5H8ClNS — CID 89339621

IUPAC1-methylsulfanyl-N-[(E)-prop-1-enyl]methanimidoyl chloride
SMILESC/C=C/N=C(\Cl)SC
InChIInChI=1S/C5H8ClNS/c1-3-4-7-5(6)8-2/h3-4H,1-2H3/b4-3+,7-5+
InChIKeyIZQLNMAGUOEIQE-BDWKERMESA-N
MW149.65 g/mol
LogP2.48
Rot. Bonds1

About 1-methylsulfanyl-N-[(E)-prop-1-enyl]methanimidoyl chloride

1-methylsulfanyl-N-[(E)-prop-1-enyl]methanimidoyl chloride (PubChem CID 89339621) has the molecular formula C5H8ClNS and a molecular weight of 149.65 g/mol. Its IUPAC name is 1-methylsulfanyl-N-[(E)-prop-1-enyl]methanimidoyl chloride.

Molecular Properties

Compound Name1-methylsulfanyl-N-[(E)-prop-1-enyl]methanimidoyl chloride
PubChem CID89339621
Molecular FormulaC5H8ClNS
Molecular Weight149.65 g/mol
Exact Mass149.01
IUPAC Name1-methylsulfanyl-N-[(E)-prop-1-enyl]methanimidoyl chloride
SMILESC/C=C/N=C(\Cl)SC
InChIInChI=1S/C5H8ClNS/c1-3-4-7-5(6)8-2/h3-4H,1-2H3/b4-3+,7-5+
InChIKeyIZQLNMAGUOEIQE-BDWKERMESA-N
XLogP2.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.65
LogP ≤ 52.48
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 1-methylsulfanyl-N-[(E)-prop-1-enyl]methanimidoyl chloride?
The IUPAC name of 1-methylsulfanyl-N-[(E)-prop-1-enyl]methanimidoyl chloride (CID 89339621) is 1-methylsulfanyl-N-[(E)-prop-1-enyl]methanimidoyl chloride.
What is the SMILES notation for 1-methylsulfanyl-N-[(E)-prop-1-enyl]methanimidoyl chloride?
The canonical SMILES for 1-methylsulfanyl-N-[(E)-prop-1-enyl]methanimidoyl chloride is C/C=C/N=C(\Cl)SC.
What is the InChIKey of 1-methylsulfanyl-N-[(E)-prop-1-enyl]methanimidoyl chloride?
The InChIKey is IZQLNMAGUOEIQE-BDWKERMESA-N. The full InChI is InChI=1S/C5H8ClNS/c1-3-4-7-5(6)8-2/h3-4H,1-2H3/b4-3+,7-5+.
What are the key properties of 1-methylsulfanyl-N-[(E)-prop-1-enyl]methanimidoyl chloride?
1-methylsulfanyl-N-[(E)-prop-1-enyl]methanimidoyl chloride has a molecular weight of 149.65 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-N-[(E)-prop-1-enyl]methanimidoyl chloride is sourced from PubChem (CID 89339621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).