3-(5-fluoro-2-methylphenoxy)propanethioamide

C10H12FNOS — CID 102981847

IUPAC3-(5-fluoro-2-methylphenoxy)propanethioamide
SMILESCc1ccc(F)cc1OCCC(N)=S
InChIInChI=1S/C10H12FNOS/c1-7-2-3-8(11)6-9(7)13-5-4-10(12)14/h2-3,6H,4-5H2,1H3,(H2,12,14)
InChIKeyXALRBWZNYBCRAL-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.19
Rot. Bonds4

About 3-(5-fluoro-2-methylphenoxy)propanethioamide

3-(5-fluoro-2-methylphenoxy)propanethioamide (PubChem CID 102981847) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenoxy)propanethioamide.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenoxy)propanethioamide
PubChem CID102981847
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name3-(5-fluoro-2-methylphenoxy)propanethioamide
SMILESCc1ccc(F)cc1OCCC(N)=S
InChIInChI=1S/C10H12FNOS/c1-7-2-3-8(11)6-9(7)13-5-4-10(12)14/h2-3,6H,4-5H2,1H3,(H2,12,14)
InChIKeyXALRBWZNYBCRAL-UHFFFAOYSA-N
XLogP2.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4,5-trimethylphenoxy)propanethioamide
CID 82154229
3-(2,3-dimethylphenoxy)propanethioamide
CID 7745565
5-(5-bromo-2-methylphenoxy)pentanethioamide
CID 107283880
2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene
CID 102981403
4-[(5-fluoro-2-methylphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 102981851
6-(5-fluoro-2-methylphenoxy)hexanehydrazide
CID 102987680
6-(5-fluoro-2-methylphenoxy)hexane-1-thiol
CID 102988847
4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide
CID 102983847
4-fluoro-3-[(5-fluoro-2-methylphenoxy)methyl]benzenecarbothioamide
CID 102981854
4-[(5-fluoro-2-methylphenoxy)methyl]pyridine-2-carbothioamide
CID 102981850
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine
CID 102987264
N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
CID 102987275

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylphenoxy)propanethioamide?
The IUPAC name of 3-(5-fluoro-2-methylphenoxy)propanethioamide (CID 102981847) is 3-(5-fluoro-2-methylphenoxy)propanethioamide.
What is the SMILES notation for 3-(5-fluoro-2-methylphenoxy)propanethioamide?
The canonical SMILES for 3-(5-fluoro-2-methylphenoxy)propanethioamide is Cc1ccc(F)cc1OCCC(N)=S.
What is the InChIKey of 3-(5-fluoro-2-methylphenoxy)propanethioamide?
The InChIKey is XALRBWZNYBCRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c1-7-2-3-8(11)6-9(7)13-5-4-10(12)14/h2-3,6H,4-5H2,1H3,(H2,12,14).
What are the key properties of 3-(5-fluoro-2-methylphenoxy)propanethioamide?
3-(5-fluoro-2-methylphenoxy)propanethioamide has a molecular weight of 213.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylphenoxy)propanethioamide is sourced from PubChem (CID 102981847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).