1-ethylsulfanyl-N-prop-1-en-2-ylmethanimidoyl chloride

C6H10ClNS — CID 138645324

IUPAC1-ethylsulfanyl-N-prop-1-en-2-ylmethanimidoyl chloride
SMILESC=C(C)/N=C(\Cl)SCC
InChIInChI=1S/C6H10ClNS/c1-4-9-6(7)8-5(2)3/h2,4H2,1,3H3/b8-6+
InChIKeyOXSDGKUAAHTGNS-SOFGYWHQSA-N
MW163.67 g/mol
LogP2.87
Rot. Bonds2

About 1-ethylsulfanyl-N-prop-1-en-2-ylmethanimidoyl chloride

1-ethylsulfanyl-N-prop-1-en-2-ylmethanimidoyl chloride (PubChem CID 138645324) has the molecular formula C6H10ClNS and a molecular weight of 163.67 g/mol. Its IUPAC name is 1-ethylsulfanyl-N-prop-1-en-2-ylmethanimidoyl chloride.

Molecular Properties

Compound Name1-ethylsulfanyl-N-prop-1-en-2-ylmethanimidoyl chloride
PubChem CID138645324
Molecular FormulaC6H10ClNS
Molecular Weight163.67 g/mol
Exact Mass163.02
IUPAC Name1-ethylsulfanyl-N-prop-1-en-2-ylmethanimidoyl chloride
SMILESC=C(C)/N=C(\Cl)SCC
InChIInChI=1S/C6H10ClNS/c1-4-9-6(7)8-5(2)3/h2,4H2,1,3H3/b8-6+
InChIKeyOXSDGKUAAHTGNS-SOFGYWHQSA-N
XLogP2.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.67
LogP ≤ 52.87
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-ethylsulfanyl-N-prop-1-en-2-ylmethanimidoyl chloride?
The IUPAC name of 1-ethylsulfanyl-N-prop-1-en-2-ylmethanimidoyl chloride (CID 138645324) is 1-ethylsulfanyl-N-prop-1-en-2-ylmethanimidoyl chloride.
What is the SMILES notation for 1-ethylsulfanyl-N-prop-1-en-2-ylmethanimidoyl chloride?
The canonical SMILES for 1-ethylsulfanyl-N-prop-1-en-2-ylmethanimidoyl chloride is C=C(C)/N=C(\Cl)SCC.
What is the InChIKey of 1-ethylsulfanyl-N-prop-1-en-2-ylmethanimidoyl chloride?
The InChIKey is OXSDGKUAAHTGNS-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H10ClNS/c1-4-9-6(7)8-5(2)3/h2,4H2,1,3H3/b8-6+.
What are the key properties of 1-ethylsulfanyl-N-prop-1-en-2-ylmethanimidoyl chloride?
1-ethylsulfanyl-N-prop-1-en-2-ylmethanimidoyl chloride has a molecular weight of 163.67 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-N-prop-1-en-2-ylmethanimidoyl chloride is sourced from PubChem (CID 138645324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).