(E)-5-chloropent-2-ene-1-thiol

C5H9ClS — CID 88600792

IUPAC(E)-5-chloropent-2-ene-1-thiol
SMILESSC/C=C/CCCl
InChIInChI=1S/C5H9ClS/c6-4-2-1-3-5-7/h1,3,7H,2,4-5H2/b3-1+
InChIKeyCJTWXNYTMAWNGN-HNQUOIGGSA-N
MW136.65 g/mol
LogP2.10
Rot. Bonds3

About (E)-5-chloropent-2-ene-1-thiol

(E)-5-chloropent-2-ene-1-thiol (PubChem CID 88600792) has the molecular formula C5H9ClS and a molecular weight of 136.65 g/mol. Its IUPAC name is (E)-5-chloropent-2-ene-1-thiol.

Molecular Properties

Compound Name(E)-5-chloropent-2-ene-1-thiol
PubChem CID88600792
Molecular FormulaC5H9ClS
Molecular Weight136.65 g/mol
Exact Mass136.01
IUPAC Name(E)-5-chloropent-2-ene-1-thiol
SMILESSC/C=C/CCCl
InChIInChI=1S/C5H9ClS/c6-4-2-1-3-5-7/h1,3,7H,2,4-5H2/b3-1+
InChIKeyCJTWXNYTMAWNGN-HNQUOIGGSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.65
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-chloropent-2-ene-1-thiol?
The IUPAC name of (E)-5-chloropent-2-ene-1-thiol (CID 88600792) is (E)-5-chloropent-2-ene-1-thiol.
What is the SMILES notation for (E)-5-chloropent-2-ene-1-thiol?
The canonical SMILES for (E)-5-chloropent-2-ene-1-thiol is SC/C=C/CCCl.
What is the InChIKey of (E)-5-chloropent-2-ene-1-thiol?
The InChIKey is CJTWXNYTMAWNGN-HNQUOIGGSA-N. The full InChI is InChI=1S/C5H9ClS/c6-4-2-1-3-5-7/h1,3,7H,2,4-5H2/b3-1+.
What are the key properties of (E)-5-chloropent-2-ene-1-thiol?
(E)-5-chloropent-2-ene-1-thiol has a molecular weight of 136.65 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-chloropent-2-ene-1-thiol is sourced from PubChem (CID 88600792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).