2-chloro-1-methylsulfanyldecane

C11H23ClS — CID 15743050

IUPAC2-chloro-1-methylsulfanyldecane
SMILESCCCCCCCCC(Cl)CSC
InChIInChI=1S/C11H23ClS/c1-3-4-5-6-7-8-9-11(12)10-13-2/h11H,3-10H2,1-2H3
InChIKeyYIPGELFHXKWKSA-UHFFFAOYSA-N
MW222.82 g/mol
LogP4.71
Rot. Bonds9

About 2-chloro-1-methylsulfanyldecane

2-chloro-1-methylsulfanyldecane (PubChem CID 15743050) has the molecular formula C11H23ClS and a molecular weight of 222.82 g/mol. Its IUPAC name is 2-chloro-1-methylsulfanyldecane.

Molecular Properties

Compound Name2-chloro-1-methylsulfanyldecane
PubChem CID15743050
Molecular FormulaC11H23ClS
Molecular Weight222.82 g/mol
Exact Mass222.12
IUPAC Name2-chloro-1-methylsulfanyldecane
SMILESCCCCCCCCC(Cl)CSC
InChIInChI=1S/C11H23ClS/c1-3-4-5-6-7-8-9-11(12)10-13-2/h11H,3-10H2,1-2H3
InChIKeyYIPGELFHXKWKSA-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.82
LogP ≤ 54.71
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methylsulfanyldecane?
The IUPAC name of 2-chloro-1-methylsulfanyldecane (CID 15743050) is 2-chloro-1-methylsulfanyldecane.
What is the SMILES notation for 2-chloro-1-methylsulfanyldecane?
The canonical SMILES for 2-chloro-1-methylsulfanyldecane is CCCCCCCCC(Cl)CSC.
What is the InChIKey of 2-chloro-1-methylsulfanyldecane?
The InChIKey is YIPGELFHXKWKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClS/c1-3-4-5-6-7-8-9-11(12)10-13-2/h11H,3-10H2,1-2H3.
What are the key properties of 2-chloro-1-methylsulfanyldecane?
2-chloro-1-methylsulfanyldecane has a molecular weight of 222.82 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methylsulfanyldecane is sourced from PubChem (CID 15743050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).