2-[(2-chloro-6-fluorophenyl)methoxy]propane-1-thiol

C10H12ClFOS — CID 130205078

IUPAC2-[(2-chloro-6-fluorophenyl)methoxy]propane-1-thiol
SMILESCC(CS)OCc1c(F)cccc1Cl
InChIInChI=1S/C10H12ClFOS/c1-7(6-14)13-5-8-9(11)3-2-4-10(8)12/h2-4,7,14H,5-6H2,1H3
InChIKeyDYCRKKDMAQCMQV-UHFFFAOYSA-N
MW234.72 g/mol
LogP3.31
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenyl)methoxy]propane-1-thiol

2-[(2-chloro-6-fluorophenyl)methoxy]propane-1-thiol (PubChem CID 130205078) has the molecular formula C10H12ClFOS and a molecular weight of 234.72 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methoxy]propane-1-thiol.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methoxy]propane-1-thiol
PubChem CID130205078
Molecular FormulaC10H12ClFOS
Molecular Weight234.72 g/mol
Exact Mass234.03
IUPAC Name2-[(2-chloro-6-fluorophenyl)methoxy]propane-1-thiol
SMILESCC(CS)OCc1c(F)cccc1Cl
InChIInChI=1S/C10H12ClFOS/c1-7(6-14)13-5-8-9(11)3-2-4-10(8)12/h2-4,7,14H,5-6H2,1H3
InChIKeyDYCRKKDMAQCMQV-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.72
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methylamino]propane-1-thiol
CID 130205125
(2-chloro-6-fluorophenyl)methyl 2-aminopropanoate
CID 82115903
1-chloro-3-fluoro-2-(2-methylbutoxymethyl)benzene
CID 91718297
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
1-chloro-3-fluoro-2-(methylsulfanylmethoxymethyl)benzene
CID 129306706
(1R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
CID 63367550
4-(2-chloro-6-fluorophenyl)-3-methylbutanethioamide
CID 83925258
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 61496605
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
1-chloro-3-fluoro-2-(2-propan-2-yloxyethylsulfanylmethyl)benzene
CID 78849252
bromomethyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane
CID 91735266
1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol
CID 62333927

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methoxy]propane-1-thiol?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methoxy]propane-1-thiol (CID 130205078) is 2-[(2-chloro-6-fluorophenyl)methoxy]propane-1-thiol.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methoxy]propane-1-thiol?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methoxy]propane-1-thiol is CC(CS)OCc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methoxy]propane-1-thiol?
The InChIKey is DYCRKKDMAQCMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFOS/c1-7(6-14)13-5-8-9(11)3-2-4-10(8)12/h2-4,7,14H,5-6H2,1H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methoxy]propane-1-thiol?
2-[(2-chloro-6-fluorophenyl)methoxy]propane-1-thiol has a molecular weight of 234.72 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methoxy]propane-1-thiol is sourced from PubChem (CID 130205078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).