1-(1-chloroethyl)-1-(3-ethylsulfanylpropyl)cyclopropane

C10H19ClS — CID 106798392

IUPAC1-(1-chloroethyl)-1-(3-ethylsulfanylpropyl)cyclopropane
SMILESCCSCCCC1(C(C)Cl)CC1
InChIInChI=1S/C10H19ClS/c1-3-12-8-4-5-10(6-7-10)9(2)11/h9H,3-8H2,1-2H3
InChIKeyRGBIRNVNWOPWGN-UHFFFAOYSA-N
MW206.78 g/mol
LogP3.93
Rot. Bonds6

About 1-(1-chloroethyl)-1-(3-ethylsulfanylpropyl)cyclopropane

1-(1-chloroethyl)-1-(3-ethylsulfanylpropyl)cyclopropane (PubChem CID 106798392) has the molecular formula C10H19ClS and a molecular weight of 206.78 g/mol. Its IUPAC name is 1-(1-chloroethyl)-1-(3-ethylsulfanylpropyl)cyclopropane.

Molecular Properties

Compound Name1-(1-chloroethyl)-1-(3-ethylsulfanylpropyl)cyclopropane
PubChem CID106798392
Molecular FormulaC10H19ClS
Molecular Weight206.78 g/mol
Exact Mass206.09
IUPAC Name1-(1-chloroethyl)-1-(3-ethylsulfanylpropyl)cyclopropane
SMILESCCSCCCC1(C(C)Cl)CC1
InChIInChI=1S/C10H19ClS/c1-3-12-8-4-5-10(6-7-10)9(2)11/h9H,3-8H2,1-2H3
InChIKeyRGBIRNVNWOPWGN-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.78
LogP ≤ 53.93
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'}

Analyze 1-(1-chloroethyl)-1-(3-ethylsulfanylpropyl)cyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloroethyl)-1-(3-ethylsulfanylpropyl)cyclopropane?
The IUPAC name of 1-(1-chloroethyl)-1-(3-ethylsulfanylpropyl)cyclopropane (CID 106798392) is 1-(1-chloroethyl)-1-(3-ethylsulfanylpropyl)cyclopropane.
What is the SMILES notation for 1-(1-chloroethyl)-1-(3-ethylsulfanylpropyl)cyclopropane?
The canonical SMILES for 1-(1-chloroethyl)-1-(3-ethylsulfanylpropyl)cyclopropane is CCSCCCC1(C(C)Cl)CC1.
What is the InChIKey of 1-(1-chloroethyl)-1-(3-ethylsulfanylpropyl)cyclopropane?
The InChIKey is RGBIRNVNWOPWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClS/c1-3-12-8-4-5-10(6-7-10)9(2)11/h9H,3-8H2,1-2H3.
What are the key properties of 1-(1-chloroethyl)-1-(3-ethylsulfanylpropyl)cyclopropane?
1-(1-chloroethyl)-1-(3-ethylsulfanylpropyl)cyclopropane has a molecular weight of 206.78 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloroethyl)-1-(3-ethylsulfanylpropyl)cyclopropane is sourced from PubChem (CID 106798392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).