1-chloro-3-prop-2-enylsulfanylpropane

C6H11ClS — CID 55303888

IUPAC1-chloro-3-prop-2-enylsulfanylpropane
SMILESC=CCSCCCCl
InChIInChI=1S/C6H11ClS/c1-2-5-8-6-3-4-7/h2H,1,3-6H2
InChIKeyAXKXPYPOTDZACF-UHFFFAOYSA-N
MW150.67 g/mol
LogP2.53
Rot. Bonds5

About 1-chloro-3-prop-2-enylsulfanylpropane

1-chloro-3-prop-2-enylsulfanylpropane (PubChem CID 55303888) has the molecular formula C6H11ClS and a molecular weight of 150.67 g/mol. Its IUPAC name is 1-chloro-3-prop-2-enylsulfanylpropane.

Molecular Properties

Compound Name1-chloro-3-prop-2-enylsulfanylpropane
PubChem CID55303888
Molecular FormulaC6H11ClS
Molecular Weight150.67 g/mol
Exact Mass150.03
IUPAC Name1-chloro-3-prop-2-enylsulfanylpropane
SMILESC=CCSCCCCl
InChIInChI=1S/C6H11ClS/c1-2-5-8-6-3-4-7/h2H,1,3-6H2
InChIKeyAXKXPYPOTDZACF-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.67
LogP ≤ 52.53
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-prop-2-enylsulfanylpropane?
The IUPAC name of 1-chloro-3-prop-2-enylsulfanylpropane (CID 55303888) is 1-chloro-3-prop-2-enylsulfanylpropane.
What is the SMILES notation for 1-chloro-3-prop-2-enylsulfanylpropane?
The canonical SMILES for 1-chloro-3-prop-2-enylsulfanylpropane is C=CCSCCCCl.
What is the InChIKey of 1-chloro-3-prop-2-enylsulfanylpropane?
The InChIKey is AXKXPYPOTDZACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClS/c1-2-5-8-6-3-4-7/h2H,1,3-6H2.
What are the key properties of 1-chloro-3-prop-2-enylsulfanylpropane?
1-chloro-3-prop-2-enylsulfanylpropane has a molecular weight of 150.67 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-prop-2-enylsulfanylpropane is sourced from PubChem (CID 55303888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).