(Z)-2-ethenylsulfanyl-N-iodoethenamine

C4H6INS — CID 89126075

IUPAC(Z)-2-ethenylsulfanyl-N-iodoethenamine
SMILESC=CS/C=C\NI
InChIInChI=1S/C4H6INS/c1-2-7-4-3-6-5/h2-4,6H,1H2/b4-3-
InChIKeyRCBWRBNMXIRHRL-ARJAWSKDSA-N
MW227.07 g/mol
LogP2.27
Rot. Bonds3

About (Z)-2-ethenylsulfanyl-N-iodoethenamine

(Z)-2-ethenylsulfanyl-N-iodoethenamine (PubChem CID 89126075) has the molecular formula C4H6INS and a molecular weight of 227.07 g/mol. Its IUPAC name is (Z)-2-ethenylsulfanyl-N-iodoethenamine.

Molecular Properties

Compound Name(Z)-2-ethenylsulfanyl-N-iodoethenamine
PubChem CID89126075
Molecular FormulaC4H6INS
Molecular Weight227.07 g/mol
Exact Mass226.93
IUPAC Name(Z)-2-ethenylsulfanyl-N-iodoethenamine
SMILESC=CS/C=C\NI
InChIInChI=1S/C4H6INS/c1-2-7-4-3-6-5/h2-4,6H,1H2/b4-3-
InChIKeyRCBWRBNMXIRHRL-ARJAWSKDSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.07
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethenylsulfanyl-N-iodoethenamine?
The IUPAC name of (Z)-2-ethenylsulfanyl-N-iodoethenamine (CID 89126075) is (Z)-2-ethenylsulfanyl-N-iodoethenamine.
What is the SMILES notation for (Z)-2-ethenylsulfanyl-N-iodoethenamine?
The canonical SMILES for (Z)-2-ethenylsulfanyl-N-iodoethenamine is C=CS/C=C\NI.
What is the InChIKey of (Z)-2-ethenylsulfanyl-N-iodoethenamine?
The InChIKey is RCBWRBNMXIRHRL-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H6INS/c1-2-7-4-3-6-5/h2-4,6H,1H2/b4-3-.
What are the key properties of (Z)-2-ethenylsulfanyl-N-iodoethenamine?
(Z)-2-ethenylsulfanyl-N-iodoethenamine has a molecular weight of 227.07 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethenylsulfanyl-N-iodoethenamine is sourced from PubChem (CID 89126075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).