2-(2-fluorophenyl)sulfanylethanethioamide

C8H8FNS2 — CID 66051849

IUPAC2-(2-fluorophenyl)sulfanylethanethioamide
SMILESNC(=S)CSc1ccccc1F
InChIInChI=1S/C8H8FNS2/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKeyPGOBWEMAFQLKSB-UHFFFAOYSA-N
MW201.29 g/mol
LogP2.20
Rot. Bonds3

About 2-(2-fluorophenyl)sulfanylethanethioamide

2-(2-fluorophenyl)sulfanylethanethioamide (PubChem CID 66051849) has the molecular formula C8H8FNS2 and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanylethanethioamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanylethanethioamide
PubChem CID66051849
Molecular FormulaC8H8FNS2
Molecular Weight201.29 g/mol
Exact Mass201.01
IUPAC Name2-(2-fluorophenyl)sulfanylethanethioamide
SMILESNC(=S)CSc1ccccc1F
InChIInChI=1S/C8H8FNS2/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKeyPGOBWEMAFQLKSB-UHFFFAOYSA-N
XLogP2.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 52.20
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

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1-cycloheptyl-2-(2-fluorophenyl)sulfanylethanone
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1-bromo-3-(2-fluorophenyl)sulfanylpropan-2-ol
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2-[2-(2-fluorophenyl)sulfanylethoxy]benzamide
CID 7702018
N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)sulfanylpropanamide
CID 112550573
N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide
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1-(2-fluorophenyl)sulfanyl-3-methylpentan-2-one
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2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
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2-(2-fluorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
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CID 79420540

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanylethanethioamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanylethanethioamide (CID 66051849) is 2-(2-fluorophenyl)sulfanylethanethioamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanylethanethioamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanylethanethioamide is NC(=S)CSc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanylethanethioamide?
The InChIKey is PGOBWEMAFQLKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNS2/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H2,10,11).
What are the key properties of 2-(2-fluorophenyl)sulfanylethanethioamide?
2-(2-fluorophenyl)sulfanylethanethioamide has a molecular weight of 201.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanylethanethioamide is sourced from PubChem (CID 66051849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).