10-chlorodecane-1-thiol

C10H21ClS — CID 19352769

IUPAC10-chlorodecane-1-thiol
SMILESSCCCCCCCCCCCl
InChIInChI=1S/C10H21ClS/c11-9-7-5-3-1-2-4-6-8-10-12/h12H,1-10H2
InChIKeyLGQNQWAGFBFATI-UHFFFAOYSA-N
MW208.80 g/mol
LogP4.28
Rot. Bonds9

About 10-chlorodecane-1-thiol

10-chlorodecane-1-thiol (PubChem CID 19352769) has the molecular formula C10H21ClS and a molecular weight of 208.80 g/mol. Its IUPAC name is 10-chlorodecane-1-thiol.

Molecular Properties

Compound Name10-chlorodecane-1-thiol
PubChem CID19352769
Molecular FormulaC10H21ClS
Molecular Weight208.80 g/mol
Exact Mass208.11
IUPAC Name10-chlorodecane-1-thiol
SMILESSCCCCCCCCCCCl
InChIInChI=1S/C10H21ClS/c11-9-7-5-3-1-2-4-6-8-10-12/h12H,1-10H2
InChIKeyLGQNQWAGFBFATI-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.80
LogP ≤ 54.28
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': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-chlorodecane-1-thiol?
The IUPAC name of 10-chlorodecane-1-thiol (CID 19352769) is 10-chlorodecane-1-thiol.
What is the SMILES notation for 10-chlorodecane-1-thiol?
The canonical SMILES for 10-chlorodecane-1-thiol is SCCCCCCCCCCCl.
What is the InChIKey of 10-chlorodecane-1-thiol?
The InChIKey is LGQNQWAGFBFATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClS/c11-9-7-5-3-1-2-4-6-8-10-12/h12H,1-10H2.
What are the key properties of 10-chlorodecane-1-thiol?
10-chlorodecane-1-thiol has a molecular weight of 208.80 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chlorodecane-1-thiol is sourced from PubChem (CID 19352769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).