5-fluoro-2-propoxybenzenecarbothioamide

C10H12FNOS — CID 63673082

IUPAC5-fluoro-2-propoxybenzenecarbothioamide
SMILESCCCOc1ccc(F)cc1C(N)=S
InChIInChI=1S/C10H12FNOS/c1-2-5-13-9-4-3-7(11)6-8(9)10(12)14/h3-4,6H,2,5H2,1H3,(H2,12,14)
InChIKeySLPZTPDGCQPVFJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.25
Rot. Bonds4

About 5-fluoro-2-propoxybenzenecarbothioamide

5-fluoro-2-propoxybenzenecarbothioamide (PubChem CID 63673082) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-fluoro-2-propoxybenzenecarbothioamide.

Molecular Properties

Compound Name5-fluoro-2-propoxybenzenecarbothioamide
PubChem CID63673082
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name5-fluoro-2-propoxybenzenecarbothioamide
SMILESCCCOc1ccc(F)cc1C(N)=S
InChIInChI=1S/C10H12FNOS/c1-2-5-13-9-4-3-7(11)6-8(9)10(12)14/h3-4,6H,2,5H2,1H3,(H2,12,14)
InChIKeySLPZTPDGCQPVFJ-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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

5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarbothioamide
CID 104561810
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide
CID 104561759
2-(2-cyclopropylethoxy)-5-fluorobenzenecarbothioamide
CID 106201683
5-fluoro-2-[2-(2-methylpropoxy)ethoxy]benzenecarbothioamide
CID 106447630
1-(5-fluoro-2-propoxyphenyl)propan-1-one
CID 82268324
4-fluoro-1-methoxy-2-propoxybenzene
CID 126738516
4-fluoro-2-(propoxymethyl)benzenecarbothioamide
CID 64763604
4-(5-fluoro-2-propoxyphenyl)-3-methylbutanethioamide
CID 83944175
2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide
CID 63675108
5-fluoro-2-[2-(methylamino)ethoxy]benzamide
CID 63675006
2-(4-ethyl-2-methoxyphenoxy)-5-fluorobenzenecarbothioamide
CID 107664916
CID 174591366
CID 174591366

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-propoxybenzenecarbothioamide?
The IUPAC name of 5-fluoro-2-propoxybenzenecarbothioamide (CID 63673082) is 5-fluoro-2-propoxybenzenecarbothioamide.
What is the SMILES notation for 5-fluoro-2-propoxybenzenecarbothioamide?
The canonical SMILES for 5-fluoro-2-propoxybenzenecarbothioamide is CCCOc1ccc(F)cc1C(N)=S.
What is the InChIKey of 5-fluoro-2-propoxybenzenecarbothioamide?
The InChIKey is SLPZTPDGCQPVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c1-2-5-13-9-4-3-7(11)6-8(9)10(12)14/h3-4,6H,2,5H2,1H3,(H2,12,14).
What are the key properties of 5-fluoro-2-propoxybenzenecarbothioamide?
5-fluoro-2-propoxybenzenecarbothioamide has a molecular weight of 213.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-propoxybenzenecarbothioamide is sourced from PubChem (CID 63673082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).