1-chlorohex-5-ene-1-thiol

C6H11ClS — CID 19873155

IUPAC1-chlorohex-5-ene-1-thiol
SMILESC=CCCCC(S)Cl
InChIInChI=1S/C6H11ClS/c1-2-3-4-5-6(7)8/h2,6,8H,1,3-5H2
InChIKeyLDLUUEWFWUDSRA-UHFFFAOYSA-N
MW150.67 g/mol
LogP2.84
Rot. Bonds4

About 1-chlorohex-5-ene-1-thiol

1-chlorohex-5-ene-1-thiol (PubChem CID 19873155) has the molecular formula C6H11ClS and a molecular weight of 150.67 g/mol. Its IUPAC name is 1-chlorohex-5-ene-1-thiol.

Molecular Properties

Compound Name1-chlorohex-5-ene-1-thiol
PubChem CID19873155
Molecular FormulaC6H11ClS
Molecular Weight150.67 g/mol
Exact Mass150.03
IUPAC Name1-chlorohex-5-ene-1-thiol
SMILESC=CCCCC(S)Cl
InChIInChI=1S/C6H11ClS/c1-2-3-4-5-6(7)8/h2,6,8H,1,3-5H2
InChIKeyLDLUUEWFWUDSRA-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.67
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-chlorohex-5-ene-1-thiol?
The IUPAC name of 1-chlorohex-5-ene-1-thiol (CID 19873155) is 1-chlorohex-5-ene-1-thiol.
What is the SMILES notation for 1-chlorohex-5-ene-1-thiol?
The canonical SMILES for 1-chlorohex-5-ene-1-thiol is C=CCCCC(S)Cl.
What is the InChIKey of 1-chlorohex-5-ene-1-thiol?
The InChIKey is LDLUUEWFWUDSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClS/c1-2-3-4-5-6(7)8/h2,6,8H,1,3-5H2.
What are the key properties of 1-chlorohex-5-ene-1-thiol?
1-chlorohex-5-ene-1-thiol has a molecular weight of 150.67 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorohex-5-ene-1-thiol is sourced from PubChem (CID 19873155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).