2-[(Z)-2,3-dichloroprop-2-enyl]sulfanylethanamine

C5H9Cl2NS — CID 58684534

IUPAC2-[(Z)-2,3-dichloroprop-2-enyl]sulfanylethanamine
SMILESNCCSC/C(Cl)=C/Cl
InChIInChI=1S/C5H9Cl2NS/c6-3-5(7)4-9-2-1-8/h3H,1-2,4,8H2/b5-3-
InChIKeyOZNBMJRNRWHEME-HYXAFXHYSA-N
MW186.11 g/mol
LogP2.00
Rot. Bonds4

About 2-[(Z)-2,3-dichloroprop-2-enyl]sulfanylethanamine

2-[(Z)-2,3-dichloroprop-2-enyl]sulfanylethanamine (PubChem CID 58684534) has the molecular formula C5H9Cl2NS and a molecular weight of 186.11 g/mol. Its IUPAC name is 2-[(Z)-2,3-dichloroprop-2-enyl]sulfanylethanamine.

Molecular Properties

Compound Name2-[(Z)-2,3-dichloroprop-2-enyl]sulfanylethanamine
PubChem CID58684534
Molecular FormulaC5H9Cl2NS
Molecular Weight186.11 g/mol
Exact Mass184.98
IUPAC Name2-[(Z)-2,3-dichloroprop-2-enyl]sulfanylethanamine
SMILESNCCSC/C(Cl)=C/Cl
InChIInChI=1S/C5H9Cl2NS/c6-3-5(7)4-9-2-1-8/h3H,1-2,4,8H2/b5-3-
InChIKeyOZNBMJRNRWHEME-HYXAFXHYSA-N
XLogP2.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.11
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2,3-dichloroprop-2-enyl]sulfanylethanamine?
The IUPAC name of 2-[(Z)-2,3-dichloroprop-2-enyl]sulfanylethanamine (CID 58684534) is 2-[(Z)-2,3-dichloroprop-2-enyl]sulfanylethanamine.
What is the SMILES notation for 2-[(Z)-2,3-dichloroprop-2-enyl]sulfanylethanamine?
The canonical SMILES for 2-[(Z)-2,3-dichloroprop-2-enyl]sulfanylethanamine is NCCSC/C(Cl)=C/Cl.
What is the InChIKey of 2-[(Z)-2,3-dichloroprop-2-enyl]sulfanylethanamine?
The InChIKey is OZNBMJRNRWHEME-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H9Cl2NS/c6-3-5(7)4-9-2-1-8/h3H,1-2,4,8H2/b5-3-.
What are the key properties of 2-[(Z)-2,3-dichloroprop-2-enyl]sulfanylethanamine?
2-[(Z)-2,3-dichloroprop-2-enyl]sulfanylethanamine has a molecular weight of 186.11 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2,3-dichloroprop-2-enyl]sulfanylethanamine is sourced from PubChem (CID 58684534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).