3,3,3-trifluoro-2-(thiophen-2-ylsulfanylmethyl)propanimidamide

C8H9F3N2S2 — CID 103371409

IUPAC3,3,3-trifluoro-2-(thiophen-2-ylsulfanylmethyl)propanimidamide
SMILES[H]/N=C(\N)C(CSc1cccs1)C(F)(F)F
InChIInChI=1S/C8H9F3N2S2/c9-8(10,11)5(7(12)13)4-15-6-2-1-3-14-6/h1-3,5H,4H2,(H3,12,13)
InChIKeyHVPUNPYJBAOUMR-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.95
Rot. Bonds4

About 3,3,3-trifluoro-2-(thiophen-2-ylsulfanylmethyl)propanimidamide

3,3,3-trifluoro-2-(thiophen-2-ylsulfanylmethyl)propanimidamide (PubChem CID 103371409) has the molecular formula C8H9F3N2S2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(thiophen-2-ylsulfanylmethyl)propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(thiophen-2-ylsulfanylmethyl)propanimidamide
PubChem CID103371409
Molecular FormulaC8H9F3N2S2
Molecular Weight254.30 g/mol
Exact Mass254.02
IUPAC Name3,3,3-trifluoro-2-(thiophen-2-ylsulfanylmethyl)propanimidamide
SMILES[H]/N=C(\N)C(CSc1cccs1)C(F)(F)F
InChIInChI=1S/C8H9F3N2S2/c9-8(10,11)5(7(12)13)4-15-6-2-1-3-14-6/h1-3,5H,4H2,(H3,12,13)
InChIKeyHVPUNPYJBAOUMR-UHFFFAOYSA-N
XLogP2.95
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-(thiophen-2-ylsulfanylmethyl)propanimidamide
CID 103371309
2-Thiophen-2-ylsulfanylethanimidamide
CID 28602932
3-Thiophen-2-ylsulfanylpropanimidamide
CID 28602936
4-Thiophen-2-ylsulfanylbutanimidamide
CID 28602938
N'-hydroxy-2-methyl-3-thiophen-2-ylsulfanylpropanimidamide
CID 43369064
3-Thiophen-2-ylsulfanylpentanimidamide
CID 43369097
2-Methyl-3-thiophen-2-ylsulfanylpropanimidamide
CID 43369098
3-Thiophen-2-ylsulfanylbutanimidamide
CID 60913846
5-Thiophen-2-ylsulfanylpentanimidamide
CID 61524239
2-Thiophen-2-ylsulfanylpropanimidamide
CID 61692255
2-Thiophen-2-ylsulfanylbutanimidamide
CID 61698293

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(thiophen-2-ylsulfanylmethyl)propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-(thiophen-2-ylsulfanylmethyl)propanimidamide (CID 103371409) is 3,3,3-trifluoro-2-(thiophen-2-ylsulfanylmethyl)propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-(thiophen-2-ylsulfanylmethyl)propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-(thiophen-2-ylsulfanylmethyl)propanimidamide is [H]/N=C(\N)C(CSc1cccs1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(thiophen-2-ylsulfanylmethyl)propanimidamide?
The InChIKey is HVPUNPYJBAOUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2S2/c9-8(10,11)5(7(12)13)4-15-6-2-1-3-14-6/h1-3,5H,4H2,(H3,12,13).
What are the key properties of 3,3,3-trifluoro-2-(thiophen-2-ylsulfanylmethyl)propanimidamide?
3,3,3-trifluoro-2-(thiophen-2-ylsulfanylmethyl)propanimidamide has a molecular weight of 254.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(thiophen-2-ylsulfanylmethyl)propanimidamide is sourced from PubChem (CID 103371409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).